5-ethanoyl-6-(4-methylphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-6-(4-methylphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(3-nitrophenyl)-6-(p-tolyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-6-(4-methylphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-6-(4-methylphenyl)-9-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(3-nitrophenyl)-6-(p-tolyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=CC=C4)[N+](=O)[O-])NC5=CC=CC=C5N2C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC(=CC=C4)[N+](=O)[O-])NC5=CC=CC=C5N2C(=O)C

InChI

InChI=1S/C28H25N3O4/c1-17-10-12-19(13-11-17)28-27-24(29-23-8-3-4-9-25(23)30(28)18(2)32)15-21(16-26(27)33)20-6-5-7-22(14-20)31(34)35/h3-14,21,28-29H,15-16H2,1-2H3