tert-butyl 4-[4-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(cyclopentylamino)-oxomethyl]-2-(2,4-dimethylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)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)NC3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C=N2)C(=O)NC3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

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