6-(3-fluorophenyl)-9,9-dimethyl-5-(phenylcarbonyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(3-fluorophenyl)-9,9-dimethyl-5-(phenylcarbonyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-benzoyl-6-(3-fluorophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 5-benzoyl-6-(3-fluorophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-benzoyl-6-(3-fluorophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-benzoyl-6-(3-fluorophenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C28H25FN2O2 MolecularWeight: 440.508703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)F)C

Isomeric SMILES

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=CC=C4)C5=CC(=CC=C5)F)C

InChI

InChI=1S/C28H25FN2O2/c1-28(2)16-22-25(24(32)17-28)26(19-11-8-12-20(29)15-19)31(23-14-7-6-13-21(23)30-22)27(33)18-9-4-3-5-10-18/h3-16,25-26,30H,17H2,1-2H3