tert-butyl 4-[2-(4-chlorophenyl)-4-[(2-ethyl-6-methyl-phenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(2-ethyl-6-methyl-phenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(2-ethyl-6-methyl-phenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-chlorophenyl)-4-[(2-ethyl-6-methylanilino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)-4-[(2-ethyl-6-methylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-4-[(2-ethyl-6-methyl-phenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35ClN4O3 MolecularWeight: 523.0662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H35ClN4O3/c1-6-20-9-7-8-19(2)25(20)32-27(35)24-18-31-34(23-12-10-22(30)11-13-23)26(24)21-14-16-33(17-15-21)28(36)37-29(3,4)5/h7-13,18,21H,6,14-17H2,1-5H3,(H,32,35)