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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-hydroxypyran-4-one Traditional Name: 5-hydroxy-2-[(4-piperonylpiperazino)methyl]pyran-4-one Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)C(=CO4)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)C(=CO4)O

InChI

InChI=1S/C18H20N2O5/c21-15-8-14(23-11-16(15)22)10-20-5-3-19(4-6-20)9-13-1-2-17-18(7-13)25-12-24-17/h1-2,7-8,11,22H,3-6,9-10,12H2