N-(3-azanyl-2,2-dimethyl-propyl)-2-(4-methylphenyl)-1-(4-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-(4-nitrophenyl)carbonyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-1-(4-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-[(4-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-(4-nitrobenzoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-4-keto-1-(4-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=C(C=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=C(C=C4)[N+](=O)[O-])C=CC(=C3)C(=O)NCC(C)(C)CN

InChI

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