N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)-2-(4-quinolin-2-ylpiperazin-1-yl)ethanamine

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)-2-(4-quinolin-2-ylpiperazin-1-yl)ethanamine Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)-2-[4-(2-quinolyl)piperazin-1-yl]ethanamine CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)-2-[4-(2-quinolinyl)-1-piperazinyl]ethanamine IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2-methoxyphenyl)-2-(4-quinolin-2-ylpiperazin-1-yl)ethanamine Traditional Name: [3,5-bis(trifluoromethyl)benzyl]-[2-(2-methoxyphenyl)-2-[4-(2-quinolyl)piperazino]ethyl]amine Formula: C31H30F6N4O MolecularWeight: 588.586519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=CC=CC=C1C(CNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3CCN(CC3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H30F6N4O/c1-42-28-9-5-3-7-25(28)27(20-38-19-21-16-23(30(32,33)34)18-24(17-21)31(35,36)37)40-12-14-41(15-13-40)29-11-10-22-6-2-4-8-26(22)39-29/h2-11,16-18,27,38H,12-15,19-20H2,1H3