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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-[4-(trifluoromethyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Formula: C18H15F3N4O MolecularWeight: 360.33311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C#CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C#CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O/c19-18(20,21)15-5-2-14(3-6-15)4-7-16(26)24-10-12-25(13-11-24)17-22-8-1-9-23-17/h1-3,5-6,8-9H,10-13H2