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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1S)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H16F3N3O4 MolecularWeight: 419.35395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H16F3N3O4/c1-11(17(27)24-13-9-7-12(8-10-13)20(21,22)23)30-19(29)16-14-5-3-4-6-15(14)18(28)26(2)25-16/h3-11H,1-2H3,(H,24,27)/t11-/m0/s1