tert-butyl 4-[4-(cyclohexylcarbamoyl)-2-(4-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(cyclohexylcarbamoyl)-2-(4-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(cyclohexylcarbamoyl)-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(cyclohexylamino)-oxomethyl]-2-(4-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(cyclohexylcarbamoyl)-2-(4-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(cyclohexylcarbamoyl)-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H38N4O3/c1-19-10-12-22(13-11-19)31-24(20-14-16-30(17-15-20)26(33)34-27(2,3)4)23(18-28-31)25(32)29-21-8-6-5-7-9-21/h10-13,18,20-21H,5-9,14-17H2,1-4H3,(H,29,32)