tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(propylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(propylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(propylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-[oxo(propylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(propylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-4-(propylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)C)C)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCNC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)C)C)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H36N4O3/c1-7-12-26-23(30)21-16-27-29(20-9-8-17(2)18(3)15-20)22(21)19-10-13-28(14-11-19)24(31)32-25(4,5)6/h8-9,15-16,19H,7,10-14H2,1-6H3,(H,26,30)