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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)O)C3=NC=CC=N3

Isomeric SMILES

CCCC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)O)C3=NC=CC=N3

InChI

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