(6S,6aS,9R)-6-(4-fluorophenyl)-9-methyl-5-(phenylcarbonyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aS,9R)-6-(4-fluorophenyl)-9-methyl-5-(phenylcarbonyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aS,9R)-5-benzoyl-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aS,9R)-5-benzoyl-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aS,9R)-5-benzoyl-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aS,9R)-5-benzoyl-6-(4-fluorophenyl)-9-methyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H23FN2O2 MolecularWeight: 426.482123

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C[C@@H]1CC(=O)[C@H]2[C@H](N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23FN2O2/c1-17-15-22-25(24(31)16-17)26(18-11-13-20(28)14-12-18)30(23-10-6-5-9-21(23)29-22)27(32)19-7-3-2-4-8-19/h2-15,17,25-26,29H,16H2,1H3/t17-,25-,26+/m0/s1