4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,7-bis(oxidanyl)chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,7-dihydroxy-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-6,7-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one Traditional Name: 6,7-dihydroxy-4-[(4-piperonylpiperazino)methyl]coumarin Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=CC(=C(C=C45)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=CC(=C(C=C45)O)O

InChI

InChI=1S/C22H22N2O6/c25-17-9-16-15(8-22(27)30-20(16)10-18(17)26)12-24-5-3-23(4-6-24)11-14-1-2-19-21(7-14)29-13-28-19/h1-2,7-10,25-26H,3-6,11-13H2