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

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(2-thiophen-3-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-[2-(3-thienyl)ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-[oxo-[2-(3-thiophenyl)ethylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(2-thiophen-3-ylethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-4-[2-(3-thienyl)ethylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCCC3=CSC=C3)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCCC3=CSC=C3)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C28H36N4O3S/c1-19-6-7-23(16-20(19)2)32-25(22-9-13-31(14-10-22)27(34)35-28(3,4)5)24(17-30-32)26(33)29-12-8-21-11-15-36-18-21/h6-7,11,15-18,22H,8-10,12-14H2,1-5H3,(H,29,33)