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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-[2-[2-(methoxymethyl)-5-methyl-morpholin-4-yl]ethyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-fluoro-3-methoxy-phenyl)methyl]-4-[2-[2-(methoxymethyl)-5-methyl-morpholin-4-yl]ethyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[2-(methoxymethyl)-5-methyl-4-morpholinyl]ethyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-[(4-fluoro-3-methoxyphenyl)methyl]-4-[2-[2-(methoxymethyl)-5-methylmorpholin-4-yl]ethyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(4-fluoro-3-methoxy-benzyl)-4-[2-[2-(methoxymethyl)-5-methyl-morpholino]ethyl]piperazino]methanone dihydrochloride Formula: C30H38Cl2F7N3O4 MolecularWeight: 708.535242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COC(CN1CCN2CCN(C(C2)CC3=CC(=C(C=C3)F)OC)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)COC.Cl.Cl

Isomeric SMILES

CC1COC(CN1CCN2CCN(C(C2)CC3=CC(=C(C=C3)F)OC)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)COC.Cl.Cl

InChI

InChI=1S/C30H36F7N3O4.2ClH/c1-19-17-44-25(18-42-2)16-39(19)8-6-38-7-9-40(24(15-38)10-20-4-5-26(31)27(11-20)43-3)28(41)21-12-22(29(32,33)34)14-23(13-21)30(35,36)37;;/h4-5,11-14,19,24-25H,6-10,15-18H2,1-3H3;2*1H