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

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(cyclopropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(cyclopropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-4-[(cyclopropylamino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-4-(cyclopropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-4-(cyclopropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC4CC4

InChI

InChI=1S/C23H29ClN4O3/c1-23(2,3)31-22(30)27-12-10-15(11-13-27)20-19(21(29)26-17-6-7-17)14-25-28(20)18-8-4-16(24)5-9-18/h4-5,8-9,14-15,17H,6-7,10-13H2,1-3H3,(H,26,29)