[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C24H17F3N4O3 MolecularWeight: 466.41199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F)C

InChI

InChI=1S/C24H17F3N4O3/c1-30-18-9-5-6-10-19(18)31(2)22(30)15(11-28)20(32)13-34-23(33)16-12-29-17-8-4-3-7-14(17)21(16)24(25,26)27/h3-10,12H,13H2,1-2H3