[2-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride

Systemtic Name: [2-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [2-[(4-fluoro-3-methoxy-phenyl)methyl]-4-[3-(3-pyridyl)propyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [2-[(4-fluoro-3-methoxyphenyl)methyl]-4-[3-(3-pyridinyl)propyl]-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [2-[(4-fluoro-3-methoxyphenyl)methyl]-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [2-(4-fluoro-3-methoxy-benzyl)-4-[3-(3-pyridyl)propyl]piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C29H33Cl2F4N3O3 MolecularWeight: 618.490233

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CC(=C(C=C3)F)OC)CCCC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CC(=C(C=C3)F)OC)CCCC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C29H31F4N3O3.2ClH/c1-38-25-16-22(15-23(17-25)29(31,32)33)28(37)36-12-11-35(10-4-6-20-5-3-9-34-18-20)19-24(36)13-21-7-8-26(30)27(14-21)39-2;;/h3,5,7-9,14-18,24H,4,6,10-13,19H2,1-2H3;2*1H