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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(2,2-dimethyl-4-morpholinyl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[2-(2,2-dimethylmorpholino)ethyl]-2-[4-(trifluoromethyl)benzyl]piperazino]methanone dihydrochloride Formula: C29H34Cl2F9N3O2 MolecularWeight: 698.490789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCO1)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)C.Cl.Cl

Isomeric SMILES

CC1(CN(CCO1)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)C.Cl.Cl

InChI

InChI=1S/C29H32F9N3O2.2ClH/c1-26(2)18-40(11-12-43-26)8-7-39-9-10-41(24(17-39)13-19-3-5-21(6-4-19)27(30,31)32)25(42)20-14-22(28(33,34)35)16-23(15-20)29(36,37)38;;/h3-6,14-16,24H,7-13,17-18H2,1-2H3;2*1H