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

Systemtic Name: 3-(4-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-butylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-butylphenyl)-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:

CCCCC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H24N4O/c1-2-3-5-18-6-8-19(9-7-18)10-11-20(26)24-14-16-25(17-15-24)21-22-12-4-13-23-21/h4,6-9,12-13H,2-3,5,14-17H2,1H3