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

Systemtic Name: [2-(1H-indol-3-ylmethyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [2-(1H-indol-3-ylmethyl)-4-(3-pyridylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [2-(1H-indol-3-ylmethyl)-4-(3-pyridinylmethyl)-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [2-(1H-indol-3-ylmethyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [2-(1H-indol-3-ylmethyl)-4-(3-pyridylmethyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C28H29Cl2F3N4O2 MolecularWeight: 581.45667

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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)CC5=CN=CC=C5.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CNC4=CC=CC=C43)CC5=CN=CC=C5.Cl.Cl

InChI

InChI=1S/C28H27F3N4O2.2ClH/c1-37-24-13-20(11-22(14-24)28(29,30)31)27(36)35-10-9-34(17-19-5-4-8-32-15-19)18-23(35)12-21-16-33-26-7-3-2-6-25(21)26;;/h2-8,11,13-16,23,33H,9-10,12,17-18H2,1H3;2*1H