N-[2-[2,3-bis(fluoranyl)phenyl]-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-[2-[2,3-bis(fluoranyl)phenyl]-2-(4-cyclohexylpiperazin-1-yl)ethyl]-2-[3,5-bis(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-cyclohexylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethyl]acetamide CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-cyclohexyl-1-piperazinyl)-2-(2,3-difluorophenyl)ethyl]acetamide IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-cyclohexylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethyl]acetamide Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(4-cyclohexylpiperazino)-2-(2,3-difluorophenyl)ethyl]acetamide Formula: C28H31F8N3O MolecularWeight: 577.552466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(CNC(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C(=CC=C4)F)F

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(CNC(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C(=CC=C4)F)F

InChI

InChI=1S/C28H31F8N3O/c29-23-8-4-7-22(26(23)30)24(39-11-9-38(10-12-39)21-5-2-1-3-6-21)17-37-25(40)15-18-13-19(27(31,32)33)16-20(14-18)28(34,35)36/h4,7-8,13-14,16,21,24H,1-3,5-6,9-12,15,17H2,(H,37,40)