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

Systemtic Name: 6-(hydroxymethyl)-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 3-hydroxy-2-[[4-(3-methoxyphenyl)piperazino]methyl]-6-methylol-pyran-4-one Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C18H22N2O5/c1-24-14-4-2-3-13(9-14)20-7-5-19(6-8-20)11-17-18(23)16(22)10-15(12-21)25-17/h2-4,9-10,21,23H,5-8,11-12H2,1H3