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

Systemtic Name: 5-ethanoyl-9-(4-methoxyphenyl)-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(4-methoxyphenyl)-6-(3-pyridyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-(4-methoxyphenyl)-6-(3-pyridinyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-(4-methoxyphenyl)-6-pyridin-3-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(4-methoxyphenyl)-6-(3-pyridyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3/c1-17(31)30-24-8-4-3-7-22(24)29-23-14-20(18-9-11-21(33-2)12-10-18)15-25(32)26(23)27(30)19-6-5-13-28-16-19/h3-14,16,20,26-27,29H,15H2,1-2H3