2-[4-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazino)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C16H17F3N4O MolecularWeight: 338.32759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C=C(N3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C=C(N3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O/c17-16(18,19)13-10-14(24)21-15(20-13)23-8-6-22(7-9-23)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,20,21,24)