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

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)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-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)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-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C

InChI

InChI=1S/C21H28N4O3/c1-14(2)20-16(12-23-25(20)18-10-6-7-11-22-18)21(27)28-13-19(26)24-17-9-5-4-8-15(17)3/h6-7,10-12,14-15,17H,4-5,8-9,13H2,1-3H3,(H,24,26)