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

Systemtic Name: 5-cyclopropylcarbonyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-(cyclopropanecarbonyl)-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-[cyclopropyl(oxo)methyl]-9-(4-methylphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-(cyclopropanecarbonyl)-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-(cyclopropanecarbonyl)-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H27N3O2 MolecularWeight: 449.54358

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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)C5CC5)C6=CN=CC=C6)C(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5CC5)C6=CN=CC=C6)C(=O)C2

InChI

InChI=1S/C29H27N3O2/c1-18-8-10-19(11-9-18)22-15-24-27(26(33)16-22)28(21-5-4-14-30-17-21)32(29(34)20-12-13-20)25-7-3-2-6-23(25)31-24/h2-11,14,17,20,22,28,31H,12-13,15-16H2,1H3