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

Systemtic Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 7-hydroxy-8-[(4-piperonylpiperazino)methyl]coumarin Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=C4OC(=O)C=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC5=C4OC(=O)C=C5)O

InChI

InChI=1S/C22H22N2O5/c25-18-4-2-16-3-6-21(26)29-22(16)17(18)13-24-9-7-23(8-10-24)12-15-1-5-19-20(11-15)28-14-27-19/h1-6,11,25H,7-10,12-14H2