1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidino]-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H26F3N5O2 MolecularWeight: 449.46935

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H26F3N5O2/c23-22(24,25)18-4-1-3-17(15-18)21(32)5-9-29(10-6-21)19(31)16-28-11-13-30(14-12-28)20-26-7-2-8-27-20/h1-4,7-8,15,32H,5-6,9-14,16H2