4-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)O

InChI

InChI=1S/C25H26N2O6/c1-2-16-11-18-17(12-24(29)33-22(18)13-19(16)28)14-26-7-9-27(10-8-26)25(30)23-15-31-20-5-3-4-6-21(20)32-23/h3-6,11-13,23,28H,2,7-10,14-15H2,1H3