1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(o-tolyl)-1-piperidyl]-2-(4-methylpiperazin-1-yl)ethanone CAS Name: 1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)-1-piperidinyl]-2-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(2-methylphenyl)piperidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone Traditional Name: 1-[(3R,4S)-4-[3,5-bis(trifluoromethyl)benzyl]oxy-3-(o-tolyl)piperidino]-2-(4-methylpiperazino)ethanone Formula: C28H33F6N3O2 MolecularWeight: 557.570939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CN(CCC2OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2CN(CC[C@@H]2OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)CN4CCN(CC4)C

InChI

InChI=1S/C28H33F6N3O2/c1-19-5-3-4-6-23(19)24-16-37(26(38)17-36-11-9-35(2)10-12-36)8-7-25(24)39-18-20-13-21(27(29,30)31)15-22(14-20)28(32,33)34/h3-6,13-15,24-25H,7-12,16-18H2,1-2H3/t24-,25-/m0/s1