[4-[2-[4,4-bis(fluoranyl)piperidin-1-yl]ethyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride

Systemtic Name: [4-[2-[4,4-bis(fluoranyl)piperidin-1-yl]ethyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [4-[2-(4,4-difluoro-1-piperidyl)ethyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [4-[2-(4,4-difluoro-1-piperidinyl)ethyl]-2-(1H-indol-3-ylmethyl)-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [4-[2-(4,4-difluoropiperidino)ethyl]-2-(1H-indol-3-ylmethyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C29H35Cl2F5N4O2 MolecularWeight: 637.511816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CNC4=CC=CC=C43)CCN5CCC(CC5)(F)F.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CNC4=CC=CC=C43)CCN5CCC(CC5)(F)F.Cl.Cl

InChI

InChI=1S/C29H33F5N4O2.2ClH/c1-40-24-16-20(14-22(17-24)29(32,33)34)27(39)38-13-12-37(11-10-36-8-6-28(30,31)7-9-36)19-23(38)15-21-18-35-26-5-3-2-4-25(21)26;;/h2-5,14,16-18,23,35H,6-13,15,19H2,1H3;2*1H