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

Systemtic Name: tert-butyl 4-[2-(2-chlorophenyl)-4-(2-thiophen-3-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-chlorophenyl)-4-[2-(3-thienyl)ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2-chlorophenyl)-4-[oxo-[2-(3-thiophenyl)ethylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-chlorophenyl)-4-(2-thiophen-3-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2-chlorophenyl)-4-[2-(3-thienyl)ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31ClN4O3S MolecularWeight: 515.06734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCCC4=CSC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCCC4=CSC=C4

InChI

InChI=1S/C26H31ClN4O3S/c1-26(2,3)34-25(33)30-13-9-19(10-14-30)23-20(24(32)28-12-8-18-11-15-35-17-18)16-29-31(23)22-7-5-4-6-21(22)27/h4-7,11,15-17,19H,8-10,12-14H2,1-3H3,(H,28,32)