[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-22(2,3)18-14-19(25(24-18)17-12-8-5-9-13-17)23-20(26)15-28-21(27)16-10-6-4-7-11-16/h5,8-9,12-14,16H,4,6-7,10-11,15H2,1-3H3,(H,23,26)