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

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-1-(3-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(3-nitrobenzoyl)-4-oxo-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-1-[(3-nitrophenyl)-oxomethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-2-(4-methylphenyl)-1-(3-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-4-keto-1-(3-nitrobenzoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NCC(C)(C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NCC(C)(C)CN

InChI

InChI=1S/C29H31N5O5/c1-18-7-9-19(10-8-18)25-15-26(35)32-23-14-20(27(36)31-17-29(2,3)16-30)11-12-24(23)33(25)28(37)21-5-4-6-22(13-21)34(38)39/h4-14,25H,15-17,30H2,1-3H3,(H,31,36)(H,32,35)