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

Systemtic Name: 3-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-chlorophenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-chlorophenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C17H15ClN4O MolecularWeight: 326.7802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O/c18-15-5-2-14(3-6-15)4-7-16(23)21-10-12-22(13-11-21)17-19-8-1-9-20-17/h1-3,5-6,8-9H,10-13H2