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

Systemtic Name: [2-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [2-[(4-fluorophenyl)methyl]-4-(3-pyridylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [2-[(4-fluorophenyl)methyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [2-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [2-(4-fluorobenzyl)-4-(3-pyridylmethyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C26H27Cl2F4N3O2 MolecularWeight: 560.411093

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

InChI

InChI=1S/C26H25F4N3O2.2ClH/c1-35-24-13-20(12-21(14-24)26(28,29)30)25(34)33-10-9-32(16-19-3-2-8-31-15-19)17-23(33)11-18-4-6-22(27)7-5-18;;/h2-8,12-15,23H,9-11,16-17H2,1H3;2*1H