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

Systemtic Name: [2-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [2-[(4-fluoro-3-methoxy-phenyl)methyl]-4-(3-pyridylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [2-[(4-fluoro-3-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [2-[(4-fluoro-3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [2-(4-fluoro-3-methoxy-benzyl)-4-(3-pyridylmethyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C27H29Cl2F4N3O3 MolecularWeight: 590.437073

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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)CC4=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)CC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C27H27F4N3O3.2ClH/c1-36-23-13-20(12-21(14-23)27(29,30)31)26(35)34-9-8-33(16-19-4-3-7-32-15-19)17-22(34)10-18-5-6-24(28)25(11-18)37-2;;/h3-7,11-15,22H,8-10,16-17H2,1-2H3;2*1H