1-(4-cyclohexylpiperazin-1-yl)-4-[4-methyl-2-(trifluoromethyl)phenyl]-1-phenyl-butan-2-one

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-4-[4-methyl-2-(trifluoromethyl)phenyl]-1-phenyl-butan-2-one Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-4-[4-methyl-2-(trifluoromethyl)phenyl]-1-phenyl-butan-2-one CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-4-[4-methyl-2-(trifluoromethyl)phenyl]-1-phenyl-2-butanone IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-4-[4-methyl-2-(trifluoromethyl)phenyl]-1-phenylbutan-2-one Traditional Name: 1-(4-cyclohexylpiperazino)-4-[4-methyl-2-(trifluoromethyl)phenyl]-1-phenyl-butan-2-one Formula: C28H35F3N2O MolecularWeight: 472.58551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C4CCCCC4)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)C(C2=CC=CC=C2)N3CCN(CC3)C4CCCCC4)C(F)(F)F

InChI

InChI=1S/C28H35F3N2O/c1-21-12-13-22(25(20-21)28(29,30)31)14-15-26(34)27(23-8-4-2-5-9-23)33-18-16-32(17-19-33)24-10-6-3-7-11-24/h2,4-5,8-9,12-13,20,24,27H,3,6-7,10-11,14-19H2,1H3