1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one

Systemtic Name: 1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Openeye Name: 1-(3-hydroxy-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one CAS Name: 1-[3-hydroxy-4-(2-pyrimidinyl)-1-piperazinyl]-3-[4-(trifluoromethyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(3-hydroxy-4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Traditional Name: 1-[3-hydroxy-4-(2-pyrimidyl)piperazino]-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Formula: C18H15F3N4O2 MolecularWeight: 376.33251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)C(F)(F)F)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)C(F)(F)F)O)C3=NC=CC=N3

InChI

InChI=1S/C18H15F3N4O2/c19-18(20,21)14-5-2-13(3-6-14)4-7-15(26)24-10-11-25(16(27)12-24)17-22-8-1-9-23-17/h1-3,5-6,8-9,16,27H,10-12H2