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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methylchromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazino]methyl]-4-methyl-coumarin Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)CCO)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN3CCN(CC3)CCO)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N2O6/c1-15-17-3-4-19(28)18(13-26-8-6-25(7-9-26)10-11-27)23(17)32-24(29)22(15)16-2-5-20-21(12-16)31-14-30-20/h2-5,12,27-28H,6-11,13-14H2,1H3