Close
4

Overview

Client Email Product
CAS 138401-24-8
PharmaCompass
CAS 138401-24-8
Also known as: 138401-24-8, 4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile, [1,1'-biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-, Chembl332051, 2-butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one
Molecular Formula
C25H27N3O
Molecular Weight
385.511  g/mol
InChI Key
KWEQEHOPDHARIA-UHFFFAOYSA-N

1 2D Structure

CAS 138401-24-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile
2.1.2 InChI
InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3
2.1.3 InChI Key
KWEQEHOPDHARIA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 138401-24-8

2. 4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-[1,1'-biphenyl]-2-carbonitrile

3. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]biphenyl-2-carbonitrile

4. [1,1'-biphenyl]-2-carbonitrile, 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-

5. Chembl332051

6. 2-butyl-3-[[2'-cyano-[1,1'-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4,4]non-1-en-4-one

7. 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

8. [1.1 Inverted Exclamation Marka-biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1.3-diazaspiro [4.4]non-1-en-3-yl)methyl]

9. 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile

10. C25h27n3o

11. 2-[4-[(8-butyl-6-oxo-7,9-diazaspiro[4.4]non-8-en-7-yl)methyl]phenyl]benzonitrile

12. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1'-biphenyl]-2-carbonitrile

13. [1,1'-biphenyl]-2-carbonitrile,4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-

14. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-(1,1'-biphenyl)-2-carbonitrile

15. 4'-({2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl}methyl)-[1,1'-biphenyl]-2-carbonitrile

16. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

17. 4'-[[2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl][1,1'-biphenyl]-2-carbonitrile

18. Acmc-20mxjx

19. Irbesartan Cyano Impurity

20. Schembl1316335

21. Ctk4c1245

22. Dtxsid20431716

23. Molport-003-986-399

24. Ac-125

25. An-805

26. Bdbm50042242

27. Mfcd06658242

28. Zinc13833593

29. 4'-[(2-butyl-4-oxo-1,3-diazasp

30. Akos015895294

31. Ab25775

32. Am90288

33. Vz27304

34. 2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]benzonitrile

35. Ks-000017v6

36. Ac-20377

37. Aj-64463

38. Ak-33207

39. As-13565

40. Bc213784

41. I709

42. Kb-35935

43. Tl8000874

44. B4143

45. Ft-0601482

46. St24028631

47. St51052864

48. 401b248

49. A807385

50. I06-0796

51. J-007132

52. [1.1'-biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1.3-diazaspiro[4.4]non-1-en-3-y

53. 2-(n-butyl)-3-[[2'-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

54. 2-butyl-3-[[2'-(cyano)biphenyl-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

55. 2-n-butyl-3-[(2'-cyanobiphenyl-4-yl)methyl]-1,3-diazaspiro-[4,4]-non-1-en-4-one

56. 2-n-butyl-3-[[2'-cyanobiphenyl-4-yl]methyl]-1,3-diazaspiro-[4.4]non-1-en-4-one

57. 4''-(2-butyl-4-oxo-1,3-diaza-spiro[4,4]-non-1-en-3-ylmethyl)-biphe-nyl-2-carbonitrile

58. 4''-(2-butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-biphenyl-2-carbonitrile

59. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]nona-1-ene-3-yl)methyl]biphenyl-2-carbonitrile

60. 4-(2-butyl-1,3-diazaspiro-[4-4] No-1-en-3-yl-methyl)biphenyl-2-carbonitrile

61. [1,1'-biphenyl]-2-carbonitrile,4'-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]

62. [1,1'-biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]

63. [1,1'-biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1.3-diazaspiro [4.4]non-1-en-3-yl)methyl]

64. [1,1-biphenyl]-2-carbonitrile-4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]

65. 2-[4-[(8-butyl-6-oxidanylidene-7,9-diazaspiro[4.4]non-8-en-7-yl)methyl]phenyl]benzenecarbonitrile

66. 4'-[(2-butyl-4-oxo-1,3-diazaspiro[4,4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

67. 4'-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl](1,1'-biphenyl)-2-carbonitrile

68. 4'-[[2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]methy][1,1'-biphenyl]-2-carbonitrile

69. 4'-[[2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3yl]methyl][1,1'-biphenyl]-2-carbonitrile

70. 4-[[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl] 1,1'-biphenyl]-2-carbonitrile

71. N-[(2-n-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 385.511 g/mol
Molecular Formula C25H27N3O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass385.215 g/mol
Monoisotopic Mass385.215 g/mol
Topological Polar Surface Area56.5 A^2
Heavy Atom Count29
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us