3-(2-methylpropyl)-1-[(4-nitrophenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: 3-(2-methylpropyl)-1-[(4-nitrophenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: 3-isobutyl-1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: 3-(2-methylpropyl)-1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: 3-(2-methylpropyl)-1-[(4-nitrophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: 3-isobutyl-4-keto-1-(4-nitrobenzyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(C2=C(C=C(C=C2)C(=O)N)NC1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1CN(C2=C(C=C(C=C2)C(=O)N)NC1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-13(2)9-16-12-24(11-14-3-6-17(7-4-14)25(28)29)19-8-5-15(20(22)26)10-18(19)23-21(16)27/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,22,26)(H,23,27)