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

Systemtic Name: 6-(4-methylphenyl)-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-phenyl-5-propanoyl-6-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(4-methylphenyl)-5-(1-oxopropyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-methylphenyl)-9-phenyl-5-propanoyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-phenyl-5-propionyl-6-(p-tolyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H28N2O2 MolecularWeight: 436.54482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H28N2O2/c1-3-27(33)31-25-12-8-7-11-23(25)30-24-17-22(20-9-5-4-6-10-20)18-26(32)28(24)29(31)21-15-13-19(2)14-16-21/h4-17,22,28-30H,3,18H2,1-2H3