[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H19FN4O3 MolecularWeight: 382.388263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C20H19FN4O3/c21-15-7-1-2-8-16(15)24-18-14(6-5-11-23-18)19(27)28-12-17(26)25-20(13-22)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,23,24)(H,25,26)