4-oxidanylidene-N-[6-[2,2,2-tris(fluoranyl)ethoxy]pyridin-3-yl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[6-[2,2,2-tris(fluoranyl)ethoxy]pyridin-3-yl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]-3H-phthalazine-1-carboxamide Formula: C16H11F3N4O3 MolecularWeight: 364.27875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CN=C(C=C3)OCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CN=C(C=C3)OCC(F)(F)F

InChI

InChI=1S/C16H11F3N4O3/c17-16(18,19)8-26-12-6-5-9(7-20-12)21-15(25)13-10-3-1-2-4-11(10)14(24)23-22-13/h1-7H,8H2,(H,21,25)(H,23,24)