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

Systemtic Name: 3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-phenyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-phenyl-1-[4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C17H16N4O MolecularWeight: 292.33514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O/c22-16(8-7-15-5-2-1-3-6-15)20-11-13-21(14-12-20)17-18-9-4-10-19-17/h1-6,9-10H,11-14H2