[4-[2-[4,4-bis(fluoranyl)piperidin-1-yl]ethyl]-2-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride

Systemtic Name: [4-[2-[4,4-bis(fluoranyl)piperidin-1-yl]ethyl]-2-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [4-[2-(4,4-difluoro-1-piperidyl)ethyl]-2-[(4-fluoro-3-methoxy-phenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [4-[2-(4,4-difluoro-1-piperidinyl)ethyl]-2-[(4-fluoro-3-methoxyphenyl)methyl]-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [4-[2-(4,4-difluoropiperidino)ethyl]-2-(4-fluoro-3-methoxy-benzyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C28H35Cl2F6N3O3 MolecularWeight: 646.492219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CC(=C(C=C3)F)OC)CCN4CCC(CC4)(F)F.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CC(=C(C=C3)F)OC)CCN4CCC(CC4)(F)F.Cl.Cl

InChI

InChI=1S/C28H33F6N3O3.2ClH/c1-39-23-16-20(15-21(17-23)28(32,33)34)26(38)37-12-11-36(10-9-35-7-5-27(30,31)6-8-35)18-22(37)13-19-3-4-24(29)25(14-19)40-2;;/h3-4,14-17,22H,5-13,18H2,1-2H3;2*1H