1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-5-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-5-ylpiperazin-1-yl)ethanone Openeye Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]-2-(4-pyrimidin-5-ylpiperazin-1-yl)ethanone CAS Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-2-[4-(5-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-(4-pyrimidin-5-ylpiperazin-1-yl)ethanone Traditional Name: 1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidino]-2-[4-(5-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=CN=CN=C4

Isomeric SMILES

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

InChI

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