tert-butyl 4-[2-(3-chloranyl-4-methyl-phenyl)-4-[(2-ethylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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