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

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C18H22N2O4/c21-13-15-10-16(22)18(23)17(24-15)12-20-8-6-19(7-9-20)11-14-4-2-1-3-5-14/h1-5,10,21,23H,6-9,11-13H2