9-(4-dimethylaminophenyl)-5-ethanoyl-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(4-dimethylaminophenyl)-5-ethanoyl-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(4-dimethylaminophenyl)-6-(2-thienyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-(4-dimethylaminophenyl)-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-(4-dimethylaminophenyl)-6-thiophen-2-yl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(4-dimethylaminophenyl)-6-(2-thienyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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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)N(C)C)C5=CC=CS5

Isomeric SMILES

CC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=C(C=C4)N(C)C)C5=CC=CS5

InChI

InChI=1S/C27H27N3O2S/c1-17(31)30-23-8-5-4-7-21(23)28-22-15-19(18-10-12-20(13-11-18)29(2)3)16-24(32)26(22)27(30)25-9-6-14-33-25/h4-15,19,26-28H,16H2,1-3H3