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

Systemtic Name: 1-(3-oxidanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-propoxyphenyl)prop-2-yn-1-one Openeye Name: 1-(3-hydroxy-4-pyrimidin-2-yl-piperazin-1-yl)-3-(4-propoxyphenyl)prop-2-yn-1-one CAS Name: 1-[3-hydroxy-4-(2-pyrimidinyl)-1-piperazinyl]-3-(4-propoxyphenyl)-2-propyn-1-one IUPAC Name: 1-(3-hydroxy-4-pyrimidin-2-ylpiperazin-1-yl)-3-(4-propoxyphenyl)prop-2-yn-1-one Traditional Name: 1-[3-hydroxy-4-(2-pyrimidyl)piperazino]-3-(4-propoxyphenyl)prop-2-yn-1-one Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)O)C3=NC=CC=N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C#CC(=O)N2CCN(C(C2)O)C3=NC=CC=N3

InChI

InChI=1S/C20H22N4O3/c1-2-14-27-17-7-4-16(5-8-17)6-9-18(25)23-12-13-24(19(26)15-23)20-21-10-3-11-22-20/h3-5,7-8,10-11,19,26H,2,12-15H2,1H3