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

Systemtic Name: 6-(hydroxymethyl)-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]pyran-4-one Traditional Name: 3-hydroxy-2-[[4-(3-methylbenzyl)piperazino]methyl]-6-methylol-pyran-4-one Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C19H24N2O4/c1-14-3-2-4-15(9-14)11-20-5-7-21(8-6-20)12-18-19(24)17(23)10-16(13-22)25-18/h2-4,9-10,22,24H,5-8,11-13H2,1H3