1-[4-[[3,5-bis(trifluoromethyl)phenyl]-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-cyclohexyl-ethanone

Systemtic Name: 1-[4-[[3,5-bis(trifluoromethyl)phenyl]-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-cyclohexyl-ethanone Openeye Name: 1-[4-[[3,5-bis(trifluoromethyl)phenyl]-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-cyclohexyl-ethanone CAS Name: 1-[4-[[3,5-bis(trifluoromethyl)phenyl]-phenylmethyl]-2-tert-butyl-1-piperazinyl]-2-cyclohexylethanone IUPAC Name: 1-[4-[[3,5-bis(trifluoromethyl)phenyl]-phenylmethyl]-2-tert-butylpiperazin-1-yl]-2-cyclohexylethanone Traditional Name: 1-[4-[[3,5-bis(trifluoromethyl)phenyl]-phenyl-methyl]-2-tert-butyl-piperazino]-2-cyclohexyl-ethanone Formula: C31H38F6N2O MolecularWeight: 568.636639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCCCC2)C(C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCCCC2)C(C3=CC=CC=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C31H38F6N2O/c1-29(2,3)26-20-38(14-15-39(26)27(40)16-21-10-6-4-7-11-21)28(22-12-8-5-9-13-22)23-17-24(30(32,33)34)19-25(18-23)31(35,36)37/h5,8-9,12-13,17-19,21,26,28H,4,6-7,10-11,14-16,20H2,1-3H3