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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O3/c22-16-8-2-3-9-17(16)25-19-15(7-6-12-24-19)20(28)29-13-18(27)26-21(14-23)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,24,25)(H,26,27)