1-[1-[6-chloranyl-2-[[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]methylsulfanyl]pyrimidin-4-yl]-4-phenyl-piperidin-4-yl]ethanone

Systemtic Name: 1-[1-[6-chloranyl-2-[[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylphenyl]methylsulfanyl]pyrimidin-4-yl]-4-phenyl-piperidin-4-yl]ethanone Openeye Name: 1-[1-[6-chloro-2-[[3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methylsulfanyl]pyrimidin-4-yl]-4-phenyl-4-piperidyl]ethanone CAS Name: 1-[1-[6-chloro-2-[[3-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]phenyl]methylthio]-4-pyrimidinyl]-4-phenyl-4-piperidinyl]ethanone IUPAC Name: 1-[1-[6-chloro-2-[[3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methylsulfanyl]pyrimidin-4-yl]-4-phenylpiperidin-4-yl]ethanone Traditional Name: 1-[1-[6-chloro-2-[[3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzyl]thio]pyrimidin-4-yl]-4-phenyl-4-piperidyl]ethanone Formula: C36H35ClF3N5O2S MolecularWeight: 694.20861

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl)C6=CC=CC=C6

Isomeric SMILES

CC(=O)C1(CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)Cl)C6=CC=CC=C6

InChI

InChI=1S/C36H35ClF3N5O2S/c1-25(46)35(28-9-3-2-4-10-28)13-15-44(16-14-35)32-23-31(37)41-34(42-32)48-24-26-7-5-8-27(21-26)33(47)45-19-17-43(18-20-45)30-12-6-11-29(22-30)36(38,39)40/h2-12,21-23H,13-20,24H2,1H3