[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C22H24N4O3/c23-15-22(11-5-2-6-12-22)24-20(27)14-29-21(28)19-13-18(16-9-10-16)25-26(19)17-7-3-1-4-8-17/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2,(H,24,27)