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

Systemtic Name: 6-chloranyl-4-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 6-chloro-4-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 6-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]methyl]-7-ethyl-coumarin Formula: C25H25ClN2O5 MolecularWeight: 468.9294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C25H25ClN2O5/c1-2-16-11-22-18(13-19(16)26)17(12-24(29)33-22)14-27-7-9-28(10-8-27)25(30)23-15-31-20-5-3-4-6-21(20)32-23/h3-6,11-13,23H,2,7-10,14-15H2,1H3