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

Systemtic Name: 3-(4-propylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-propylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-propylphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-propylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-propylphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C20H22N4O MolecularWeight: 334.41488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H22N4O/c1-2-4-17-5-7-18(8-6-17)9-10-19(25)23-13-15-24(16-14-23)20-21-11-3-12-22-20/h3,5-8,11-12H,2,4,13-16H2,1H3