9-(3,4-dimethoxyphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(3,4-dimethoxyphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(3,4-dimethoxyphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(3,4-dimethoxyphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(3,4-dimethoxyphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(3,4-dimethoxyphenyl)-6-[2-(trifluoromethyl)phenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C28H25F3N2O3 MolecularWeight: 494.50491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CC=C5C(F)(F)F)C(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=CC=C5C(F)(F)F)C(=O)C2)OC

InChI

InChI=1S/C28H25F3N2O3/c1-35-24-12-11-16(15-25(24)36-2)17-13-22-26(23(34)14-17)27(33-21-10-6-5-9-20(21)32-22)18-7-3-4-8-19(18)28(29,30)31/h3-12,15,17,27,32-33H,13-14H2,1-2H3