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

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(p-tolyl)-4-(2-thienylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[oxo-(thiophen-2-ylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(p-tolyl)-4-(2-thenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3S/c1-18-7-9-20(10-8-18)30-23(19-11-13-29(14-12-19)25(32)33-26(2,3)4)22(17-28-30)24(31)27-16-21-6-5-15-34-21/h5-10,15,17,19H,11-14,16H2,1-4H3,(H,27,31)