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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[(cyclohexylamino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-(cyclohexylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H37ClN4O3 MolecularWeight: 501.06068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H37ClN4O3/c1-18-22(28)11-8-12-23(18)32-24(19-13-15-31(16-14-19)26(34)35-27(2,3)4)21(17-29-32)25(33)30-20-9-6-5-7-10-20/h8,11-12,17,19-20H,5-7,9-10,13-16H2,1-4H3,(H,30,33)