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

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 7-hydroxy-3-[2-keto-2-(4-piperonylpiperazino)ethyl]-4-methyl-coumarin Formula: C24H24N2O6 MolecularWeight: 436.45716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N2O6/c1-15-18-4-3-17(27)11-21(18)32-24(29)19(15)12-23(28)26-8-6-25(7-9-26)13-16-2-5-20-22(10-16)31-14-30-20/h2-5,10-11,27H,6-9,12-14H2,1H3