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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(cyclopentylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(cyclopentylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[(cyclopentylamino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(cyclopentylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-(cyclopentylcarbamoyl)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:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3CCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

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