[1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O4/c1-3-27-19(29)16-7-5-4-6-15(16)17(26-27)20(30)31-12(2)18(28)25-14-10-8-13(9-11-14)21(22,23)24/h4-12H,3H2,1-2H3,(H,25,28)