2-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[[4-(4-acetylphenyl)-1-piperazinyl]methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[[4-(4-acetylphenyl)piperazin-1-yl]methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[[4-(4-acetylphenyl)piperazino]methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C19H22N2O5/c1-13(23)14-2-4-15(5-3-14)21-8-6-20(7-9-21)11-18-19(25)17(24)10-16(12-22)26-18/h2-5,10,22,25H,6-9,11-12H2,1H3