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

Systemtic Name: 5-ethanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-(4-methylphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C)C5=CN=CC=C5)C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C)C5=CN=CC=C5)C(=O)C2

InChI

InChI=1S/C27H25N3O2/c1-17-9-11-19(12-10-17)21-14-23-26(25(32)15-21)27(20-6-5-13-28-16-20)30(18(2)31)24-8-4-3-7-22(24)29-23/h3-13,16,21,27,29H,14-15H2,1-2H3