[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] quinoline-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] quinoline-5-carboxylate CAS Name: 5-quinolinecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] quinoline-5-carboxylate Traditional Name: quinoline-5-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H16FN3O3 MolecularWeight: 377.368443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CCC#N)C(=O)COC(=O)C2=C3C=CC=NC3=CC=C2)F

Isomeric SMILES

C1=CC=C(C(=C1)N(CCC#N)C(=O)COC(=O)C2=C3C=CC=NC3=CC=C2)F

InChI

InChI=1S/C21H16FN3O3/c22-17-8-1-2-10-19(17)25(13-5-11-23)20(26)14-28-21(27)16-6-3-9-18-15(16)7-4-12-24-18/h1-4,6-10,12H,5,13-14H2