[3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(6-methoxypyridin-3-yl)prop-2-ynyl]piperazin-1-yl]methanone dihydrochloride

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(6-methoxypyridin-3-yl)prop-2-ynyl]piperazin-1-yl]methanone dihydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(6-methoxy-3-pyridyl)prop-2-ynyl]piperazin-1-yl]methanone dihydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(6-methoxy-3-pyridinyl)prop-2-ynyl]-1-piperazinyl]methanone dihydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(6-methoxypyridin-3-yl)prop-2-ynyl]piperazin-1-yl]methanone dihydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)-4-[3-(6-methoxy-3-pyridyl)prop-2-ynyl]piperazino]methanone dihydrochloride Formula: C31H28Cl2F6N4O2 MolecularWeight: 673.476039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C#CCN2CCN(C(C2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.Cl.Cl

Isomeric SMILES

COC1=NC=C(C=C1)C#CCN2CCN(C(C2)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C31H26F6N4O2.2ClH/c1-43-28-9-8-20(17-39-28)5-4-10-40-11-12-41(25(19-40)15-22-18-38-27-7-3-2-6-26(22)27)29(42)21-13-23(30(32,33)34)16-24(14-21)31(35,36)37;;/h2-3,6-9,13-14,16-18,25,38H,10-12,15,19H2,1H3;2*1H