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

Systemtic Name: 3-[4-(2-methylpropyl)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-isobutylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-[4-(2-methylpropyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-[4-(2-methylpropyl)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-isobutylphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-17(2)16-19-6-4-18(5-7-19)8-9-20(26)24-12-14-25(15-13-24)21-22-10-3-11-23-21/h3-7,10-11,17H,12-16H2,1-2H3