2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methyl-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methyl-3-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methyl-pyran-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-3-hydroxy-6-methyl-4-pyranone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one Traditional Name: 3-hydroxy-6-methyl-2-[(4-piperonylpiperazino)methyl]pyran-4-one Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

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