(6S,6aR)-9,9-dimethyl-5-(phenylcarbonyl)-6-[4-(trifluoromethyl)phenyl]-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aR)-9,9-dimethyl-5-(phenylcarbonyl)-6-[4-(trifluoromethyl)phenyl]-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aR)-5-benzoyl-9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aR)-5-benzoyl-9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aR)-5-benzoyl-9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aR)-5-benzoyl-9,9-dimethyl-6-[4-(trifluoromethyl)phenyl]-6,6a,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C29H25F3N2O2 MolecularWeight: 490.51621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=CC=CC=C3N(C(C2C(=O)C1)C4=CC=C(C=C4)C(F)(F)F)C(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC2=NC3=CC=CC=C3N([C@@H]([C@H]2C(=O)C1)C4=CC=C(C=C4)C(F)(F)F)C(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C29H25F3N2O2/c1-28(2)16-22-25(24(35)17-28)26(18-12-14-20(15-13-18)29(30,31)32)34(23-11-7-6-10-21(23)33-22)27(36)19-8-4-3-5-9-19/h3-15,25-26H,16-17H2,1-2H3/t25-,26-/m1/s1