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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 7-methyl-4-[(4-piperonyloylpiperazino)methyl]coumarin Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O5/c1-15-2-4-18-17(12-22(26)30-20(18)10-15)13-24-6-8-25(9-7-24)23(27)16-3-5-19-21(11-16)29-14-28-19/h2-5,10-12H,6-9,13-14H2,1H3