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

Systemtic Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(2-thienylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3,4-dimethylphenyl)-4-[oxo-(thiophen-2-ylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3,4-dimethylphenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3,4-dimethylphenyl)-4-(2-thenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CS3)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CS3)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H34N4O3S/c1-18-8-9-21(15-19(18)2)31-24(20-10-12-30(13-11-20)26(33)34-27(3,4)5)23(17-29-31)25(32)28-16-22-7-6-14-35-22/h6-9,14-15,17,20H,10-13,16H2,1-5H3,(H,28,32)