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

Systemtic Name: 3-(4-propoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-propoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-propoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-propoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-propoxyphenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H22N4O2/c1-2-16-26-18-7-4-17(5-8-18)6-9-19(25)23-12-14-24(15-13-23)20-21-10-3-11-22-20/h3-5,7-8,10-11H,2,12-16H2,1H3