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

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(3-pyridin-3-ylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[3-(3-pyridyl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[3-(3-pyridinyl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-(3-pyridin-3-ylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[3-(3-pyridyl)propyl]-2-[4-(trifluoromethyl)benzyl]piperazino]methanone dihydrochloride Formula: C29H28Cl2F9N3O MolecularWeight: 676.443749

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCCC2=CN=CC=C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl.Cl

Isomeric SMILES

C1CN(C(CN1CCCC2=CN=CC=C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C29H26F9N3O.2ClH/c30-27(31,32)22-7-5-19(6-8-22)13-25-18-40(10-2-4-20-3-1-9-39-17-20)11-12-41(25)26(42)21-14-23(28(33,34)35)16-24(15-21)29(36,37)38;;/h1,3,5-9,14-17,25H,2,4,10-13,18H2;2*1H