4-[6,7-bis(fluoranyl)-1,3-benzodioxol-5-yl]-7-fluoranyl-2-(4-fluorophenyl)phthalazin-1-one

Systemtic Name: 4-[6,7-bis(fluoranyl)-1,3-benzodioxol-5-yl]-7-fluoranyl-2-(4-fluorophenyl)phthalazin-1-one Openeye Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-fluoro-2-(4-fluorophenyl)phthalazin-1-one CAS Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-fluoro-2-(4-fluorophenyl)-1-phthalazinone IUPAC Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-fluoro-2-(4-fluorophenyl)phthalazin-1-one Traditional Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-fluoro-2-(4-fluorophenyl)phthalazin-1-one Formula: C21H10F4N2O3 MolecularWeight: 414.309313

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C(=C2)C3=NN(C(=O)C4=C3C=CC(=C4)F)C5=CC=C(C=C5)F)F)F

Isomeric SMILES

C1OC2=C(O1)C(=C(C(=C2)C3=NN(C(=O)C4=C3C=CC(=C4)F)C5=CC=C(C=C5)F)F)F

InChI

InChI=1S/C21H10F4N2O3/c22-10-1-4-12(5-2-10)27-21(28)14-7-11(23)3-6-13(14)19(26-27)15-8-16-20(30-9-29-16)18(25)17(15)24/h1-8H,9H2