4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]phthalazin-1-one

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]phthalazin-1-one Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)-2-pyridyl]phthalazin-1-one CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1-phthalazinone IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]phthalazin-1-one Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)-2-pyridyl]phthalazin-1-one Formula: C22H14F3N3O3 MolecularWeight: 425.36007

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)C5=NC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C(=O)C4=CC=CC=C43)C5=NC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C22H14F3N3O3/c23-22(24,25)14-6-8-19(26-12-14)28-21(29)16-4-2-1-3-15(16)20(27-28)13-5-7-17-18(11-13)31-10-9-30-17/h1-8,11-12H,9-10H2