(6S,6aR)-6-(4-dimethylaminophenyl)-5-(phenylcarbonyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aR)-6-(4-dimethylaminophenyl)-5-(phenylcarbonyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aR)-5-benzoyl-6-(4-dimethylaminophenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aR)-5-benzoyl-6-(4-dimethylaminophenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aR)-5-benzoyl-6-(4-dimethylaminophenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aR)-5-benzoyl-6-(4-dimethylaminophenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3C(=O)CCC=C3NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2[C@H]3C(=O)CCC=C3NC4=CC=CC=C4N2C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2/c1-30(2)21-17-15-19(16-18-21)27-26-23(12-8-14-25(26)32)29-22-11-6-7-13-24(22)31(27)28(33)20-9-4-3-5-10-20/h3-7,9-13,15-18,26-27,29H,8,14H2,1-2H3/t26-,27-/m1/s1