1-(3-methylbutyl)-7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide

Systemtic Name: 1-(3-methylbutyl)-7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide Openeye Name: 1-isopentyl-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide CAS Name: 1-(3-methylbutyl)-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide IUPAC Name: 1-(3-methylbutyl)-7-nitro-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide Traditional Name: 1-isoamyl-2-keto-7-nitro-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CN(C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)CN(C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)N

InChI

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