[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-(trifluoromethyl)-3-quinolinecarboxylic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-(trifluoromethyl)quinoline-3-carboxylic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C22H14F3N3O3 MolecularWeight: 425.36007

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)C(=O)OCC(=O)NC3=CC=CC4=C3C=CC=N4)C(F)(F)F

InChI

InChI=1S/C22H14F3N3O3/c23-22(24,25)20-14-5-1-2-7-17(14)27-11-15(20)21(30)31-12-19(29)28-18-9-3-8-16-13(18)6-4-10-26-16/h1-11H,12H2,(H,28,29)