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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxy-1-pyrrolidinyl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(3,4-dimethoxypyrrolidino)ethyl]-2-[4-(trifluoromethyl)benzyl]piperazino]methanone dihydrochloride Formula: C29H34Cl2F9N3O3 MolecularWeight: 714.490189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC1OC)CCN2CCN(C(C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl.Cl

Isomeric SMILES

COC1CN(CC1OC)CCN2CCN(C(C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C29H32F9N3O3.2ClH/c1-43-24-16-40(17-25(24)44-2)8-7-39-9-10-41(23(15-39)11-18-3-5-20(6-4-18)27(30,31)32)26(42)19-12-21(28(33,34)35)14-22(13-19)29(36,37)38;;/h3-6,12-14,23-25H,7-11,15-17H2,1-2H3;2*1H