[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenyl-5-pyridin-3-yl-pyrazole-3-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenyl-5-pyridin-3-yl-pyrazole-3-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 1-phenyl-5-(3-pyridyl)pyrazole-3-carboxylate CAS Name: 1-phenyl-5-(3-pyridinyl)-3-pyrazolecarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1-phenyl-5-pyridin-3-ylpyrazole-3-carboxylate Traditional Name: 1-phenyl-5-(3-pyridyl)pyrazole-3-carboxylic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=NN(C(=C2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=NN(C(=C2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-17-9-6-7-13-21(17)27-24(30)18(2)32-25(31)22-15-23(19-10-8-14-26-16-19)29(28-22)20-11-4-3-5-12-20/h3-5,8,10-12,14-18,21H,6-7,9,13H2,1-2H3,(H,27,30)