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

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(4-methoxycarbonylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(4-methoxycarbonylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-4-[(4-methoxycarbonylanilino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(4-methoxycarbonylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-carbomethoxyphenyl)carbamoyl]-2-(4-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H31ClN4O5 MolecularWeight: 539.02254

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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)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H31ClN4O5/c1-28(2,3)38-27(36)32-15-13-18(14-16-32)24-23(17-30-33(24)22-11-7-20(29)8-12-22)25(34)31-21-9-5-19(6-10-21)26(35)37-4/h5-12,17-18H,13-16H2,1-4H3,(H,31,34)