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

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-[(cyclohexylamino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chlorophenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H35ClN4O3 MolecularWeight: 487.0341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)Cl)C(=O)NC4CCCCC4

InChI

InChI=1S/C26H35ClN4O3/c1-26(2,3)34-25(33)30-14-12-18(13-15-30)23-22(24(32)29-20-9-5-4-6-10-20)17-28-31(23)21-11-7-8-19(27)16-21/h7-8,11,16-18,20H,4-6,9-10,12-15H2,1-3H3,(H,29,32)