[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H25N5O3/c1-15(2)19-16(12-24-26(19)17-8-4-7-11-23-17)20(28)29-13-18(27)25-21(14-22)9-5-3-6-10-21/h4,7-8,11-12,15H,3,5-6,9-10,13H2,1-2H3,(H,25,27)