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

Systemtic Name: [2-[(4-chloranyl-3-oxidanyl-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [2-[(4-chloro-3-hydroxy-phenyl)methyl]-4-(3-pyridylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [2-[(4-chloro-3-hydroxyphenyl)methyl]-4-(3-pyridinylmethyl)-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [2-[(4-chloro-3-hydroxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [2-(4-chloro-3-hydroxy-benzyl)-4-(3-pyridylmethyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C26H27Cl3F3N3O3 MolecularWeight: 592.86509

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

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CC(=C(C=C3)Cl)O)CC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C26H25ClF3N3O3.2ClH/c1-36-22-12-19(11-20(13-22)26(28,29)30)25(35)33-8-7-32(15-18-3-2-6-31-14-18)16-21(33)9-17-4-5-23(27)24(34)10-17;;/h2-6,10-14,21,34H,7-9,15-16H2,1H3;2*1H