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

Systemtic Name: 4-[6,7-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]phthalazin-1-one Openeye Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-2-pyridyl]phthalazin-1-one CAS Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1-phthalazinone IUPAC Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]phthalazin-1-one Traditional Name: 4-(6,7-difluoro-1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)-2-pyridyl]phthalazin-1-one Formula: C21H10F5N3O3 MolecularWeight: 447.314416

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C(=C2)C3=NN(C(=O)C4=CC=CC=C43)C5=NC=C(C=C5)C(F)(F)F)F)F

Isomeric SMILES

C1OC2=C(O1)C(=C(C(=C2)C3=NN(C(=O)C4=CC=CC=C43)C5=NC=C(C=C5)C(F)(F)F)F)F

InChI

InChI=1S/C21H10F5N3O3/c22-16-13(7-14-19(17(16)23)32-9-31-14)18-11-3-1-2-4-12(11)20(30)29(28-18)15-6-5-10(8-27-15)21(24,25)26/h1-8H,9H2