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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1S)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C19H14F3N3O4 MolecularWeight: 405.32737

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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=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3O4/c1-10(16(26)23-12-8-6-11(7-9-12)19(20,21)22)29-18(28)15-13-4-2-3-5-14(13)17(27)25-24-15/h2-10H,1H3,(H,23,26)(H,25,27)/t10-/m0/s1