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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-4-oxidanylidene-1-(2-phenoxyethanoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-4-oxo-1-(2-phenoxyacetyl)-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-2-phenoxyethyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-4-oxo-1-(2-phenoxyacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-4-keto-1-(2-phenoxyacetyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C30H34N4O4 MolecularWeight: 514.61536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)COC4=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)COC4=CC=CC=C4)C=CC(=C3)C(=O)NCC(C)(C)CN

InChI

InChI=1S/C30H34N4O4/c1-20-9-11-21(12-10-20)26-16-27(35)33-24-15-22(29(37)32-19-30(2,3)18-31)13-14-25(24)34(26)28(36)17-38-23-7-5-4-6-8-23/h4-15,26H,16-19,31H2,1-3H3,(H,32,37)(H,33,35)