4-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]-6-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]-6-methoxy-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-6-methoxy-chromen-2-one CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]methyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-6-methoxychromen-2-one Traditional Name: 6-methoxy-4-[(4-piperonyloylpiperazino)methyl]coumarin Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O6/c1-28-17-3-5-19-18(12-17)16(11-22(26)31-19)13-24-6-8-25(9-7-24)23(27)15-2-4-20-21(10-15)30-14-29-20/h2-5,10-12H,6-9,13-14H2,1H3