4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7,8-dihydroxy-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-7,8-dihydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7,8-dihydroxychromen-2-one Traditional Name: 7,8-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=C4C=CC(=C5O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=C4C=CC(=C5O)O

InChI

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