9-(3,4-dimethoxyphenyl)-6-pyridin-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(3,4-dimethoxyphenyl)-6-pyridin-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(3,4-dimethoxyphenyl)-6-(3-pyridyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(3,4-dimethoxyphenyl)-6-(3-pyridinyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(3,4-dimethoxyphenyl)-6-pyridin-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(3,4-dimethoxyphenyl)-6-(3-pyridyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CN=CC=C5)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CN=CC=C5)C(=O)C2)OC

InChI

InChI=1S/C26H25N3O3/c1-31-23-10-9-16(14-24(23)32-2)18-12-21-25(22(30)13-18)26(17-6-5-11-27-15-17)29-20-8-4-3-7-19(20)28-21/h3-11,14-15,18,26,28-29H,12-13H2,1-2H3