N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-4-oxidanylidene-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-4-oxo-1-(3-phenylpropanoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-4-oxo-1-(1-oxo-3-phenylpropyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-4-oxo-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-hydrocinnamoyl-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C31H36N4O3 MolecularWeight: 512.64254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NCC(C)(C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)CCC4=CC=CC=C4)C=CC(=C3)C(=O)NCC(C)(C)CN

InChI

InChI=1S/C31H36N4O3/c1-21-9-12-23(13-10-21)27-18-28(36)34-25-17-24(30(38)33-20-31(2,3)19-32)14-15-26(25)35(27)29(37)16-11-22-7-5-4-6-8-22/h4-10,12-15,17,27H,11,16,18-20,32H2,1-3H3,(H,33,38)(H,34,36)