3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(p-tolyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-methylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(p-tolyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H18N4O/c1-15-3-5-16(6-4-15)7-8-17(23)21-11-13-22(14-12-21)18-19-9-2-10-20-18/h2-6,9-10H,11-14H2,1H3