3-methyl-4-oxidanylidene-N-[2,2,2-tris(fluoranyl)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[2,2,2-tris(fluoranyl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(2,2,2-trifluoroethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(2,2,2-trifluoroethyl)phthalazine-1-carboxamide Formula: C12H10F3N3O2 MolecularWeight: 285.22191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(F)(F)F

InChI

InChI=1S/C12H10F3N3O2/c1-18-11(20)8-5-3-2-4-7(8)9(17-18)10(19)16-6-12(13,14)15/h2-5H,6H2,1H3,(H,16,19)