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

Systemtic Name: [2-(1H-indol-3-ylmethyl)-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [2-(1H-indol-3-ylmethyl)-4-[3-(3-pyridyl)propyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [2-(1H-indol-3-ylmethyl)-4-[3-(3-pyridinyl)propyl]-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [2-(1H-indol-3-ylmethyl)-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [2-(1H-indol-3-ylmethyl)-4-[3-(3-pyridyl)propyl]piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C30H33Cl2F3N4O2 MolecularWeight: 609.50983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CNC4=CC=CC=C43)CCCC5=CN=CC=C5.Cl.Cl

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CNC4=CC=CC=C43)CCCC5=CN=CC=C5.Cl.Cl

InChI

InChI=1S/C30H31F3N4O2.2ClH/c1-39-26-16-22(14-24(17-26)30(31,32)33)29(38)37-13-12-36(11-5-7-21-6-4-10-34-18-21)20-25(37)15-23-19-35-28-9-3-2-8-27(23)28;;/h2-4,6,8-10,14,16-19,25,35H,5,7,11-13,15,20H2,1H3;2*1H