(6S,9R)-9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,9R)-9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,9R)-9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,9R)-9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,9R)-9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,9R)-9-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C26H20ClF3N2O MolecularWeight: 468.89801

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=CC=C4C(F)(F)F)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1[C@H](CC(=O)C2=C1NC3=CC=CC=C3N[C@H]2C4=CC=CC=C4C(F)(F)F)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H20ClF3N2O/c27-17-11-9-15(10-12-17)16-13-22-24(23(33)14-16)25(32-21-8-4-3-7-20(21)31-22)18-5-1-2-6-19(18)26(28,29)30/h1-12,16,25,31-32H,13-14H2/t16-,25+/m1/s1