2-butyl-3-(cyclopentylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide

Systemtic Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide IUPAC Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C42H46N4O4 MolecularWeight: 670.83904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C42H46N4O4/c1-2-3-23-34(39(43)47)36(27-29-15-10-11-16-29)41(48)45-40-42(49)46(28-30-17-14-22-33(26-30)50-32-20-8-5-9-21-32)37-25-13-12-24-35(37)38(44-40)31-18-6-4-7-19-31/h4-9,12-14,17-22,24-26,29,34,36,40H,2-3,10-11,15-16,23,27-28H2,1H3,(H2,43,47)(H,45,48)