9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-5-thiophen-2-ylcarbonyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-5-thiophen-2-ylcarbonyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-5-(thiophene-2-carbonyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-5-[oxo(thiophen-2-yl)methyl]-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-5-(thiophene-2-carbonyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)-5-(2-thenoyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C32H27FN2O4S MolecularWeight: 554.631183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C3C(N(C4=CC=CC=C4NC3=C2)C(=O)C5=CC=CS5)C6=CC=C(C=C6)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3C(N(C4=CC=CC=C4NC3=C2)C(=O)C5=CC=CS5)C6=CC=C(C=C6)F)OC

InChI

InChI=1S/C32H27FN2O4S/c1-38-27-14-11-20(18-28(27)39-2)21-16-24-30(26(36)17-21)31(19-9-12-22(33)13-10-19)35(32(37)29-8-5-15-40-29)25-7-4-3-6-23(25)34-24/h3-16,18,21,30-31,34H,17H2,1-2H3