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

Systemtic Name: tert-butyl 4-[4-(butan-2-ylcarbamoyl)-2-(4-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(sec-butylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(butan-2-ylamino)-oxomethyl]-2-(4-chlorophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(butan-2-ylcarbamoyl)-2-(4-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-4-(sec-butylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H33ClN4O3 MolecularWeight: 460.99682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H33ClN4O3/c1-6-16(2)27-22(30)20-15-26-29(19-9-7-18(25)8-10-19)21(20)17-11-13-28(14-12-17)23(31)32-24(3,4)5/h7-10,15-17H,6,11-14H2,1-5H3,(H,27,30)