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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-1-(4-tert-butylphenyl)carbonyl-2-(4-methylphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(4-tert-butylbenzoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-1-[(4-tert-butylphenyl)-oxomethyl]-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-1-(4-tert-butylbenzoyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-1-(4-tert-butylbenzoyl)-4-keto-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40N4O3/c1-21-7-9-22(10-8-21)28-18-29(38)36-26-17-24(30(39)35-20-33(5,6)19-34)13-16-27(26)37(28)31(40)23-11-14-25(15-12-23)32(2,3)4/h7-17,28H,18-20,34H2,1-6H3,(H,35,39)(H,36,38)