(6S,6aR,9R)-9-(2-chlorophenyl)-6-[4-(trifluoromethyloxy)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aR,9R)-9-(2-chlorophenyl)-6-[4-(trifluoromethyloxy)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aR,9R)-9-(2-chlorophenyl)-6-[4-(trifluoromethoxy)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aR,9R)-9-(2-chlorophenyl)-6-[4-(trifluoromethoxy)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aR,9R)-9-(2-chlorophenyl)-6-[4-(trifluoromethoxy)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aR,9R)-9-(2-chlorophenyl)-6-[4-(trifluoromethoxy)phenyl]-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C26H20ClF3N2O2 MolecularWeight: 484.89741

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C2C(C1=O)C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC=C5Cl

Isomeric SMILES

C1[C@H](C=C2[C@H](C1=O)[C@H](NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H20ClF3N2O2/c27-19-6-2-1-5-18(19)16-13-22-24(23(33)14-16)25(32-21-8-4-3-7-20(21)31-22)15-9-11-17(12-10-15)34-26(28,29)30/h1-13,16,24-25,31-32H,14H2/t16-,24+,25+/m0/s1