6-(3-nitrophenyl)-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-nitrophenyl)-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(3-nitrophenyl)-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-nitrophenyl)-5-(1-oxopropyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(3-nitrophenyl)-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(3-nitrophenyl)-9-phenyl-5-propionyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

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