[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3(CCCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)NC3(CCCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4/c1-33-21-12-10-19(11-13-21)24-22(16-30(29-24)20-8-4-2-5-9-20)25(32)34-17-23(31)28-26(18-27)14-6-3-7-15-26/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,28,31)