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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=CC=C2F)C3(CCCCC3)C#N

InChI

InChI=1S/C22H23FN4O3/c1-27(22(15-24)11-5-2-6-12-22)19(28)14-30-21(29)16-8-7-13-25-20(16)26-18-10-4-3-9-17(18)23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,25,26)