tert-butyl 4-[4-[(3,5-dimethylphenyl)carbamoyl]-2-(4-propan-2-ylphenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(3,5-dimethylphenyl)carbamoyl]-2-(4-propan-2-ylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(3,5-dimethylphenyl)carbamoyl]-2-(4-isopropylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(3,5-dimethylanilino)-oxomethyl]-2-(4-propan-2-ylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(3,5-dimethylphenyl)carbamoyl]-2-(4-propan-2-ylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(3,5-dimethylphenyl)carbamoyl]-2-p-cumenyl-pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H40N4O3 MolecularWeight: 516.6743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C(C)C)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)C(C)C)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C31H40N4O3/c1-20(2)23-8-10-26(11-9-23)35-28(24-12-14-34(15-13-24)30(37)38-31(5,6)7)27(19-32-35)29(36)33-25-17-21(3)16-22(4)18-25/h8-11,16-20,24H,12-15H2,1-7H3,(H,33,36)