N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(1-oxo-3-phenylpropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-2-cyclohexyl-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-2-cyclohexyl-1-hydrocinnamoyl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C33H38N4O3 MolecularWeight: 538.67982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

Isomeric SMILES

C1CCC(CC1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NCC5=CC=CC(=C5)CN

InChI

InChI=1S/C33H38N4O3/c34-21-24-10-7-11-25(18-24)22-35-33(40)27-15-16-29-28(19-27)36-31(38)20-30(26-12-5-2-6-13-26)37(29)32(39)17-14-23-8-3-1-4-9-23/h1,3-4,7-11,15-16,18-19,26,30H,2,5-6,12-14,17,20-22,34H2,(H,35,40)(H,36,38)