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

Systemtic Name: tert-butyl 4-[2-(3-chloranyl-2-methyl-phenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chloro-2-methyl-phenyl)-4-(2-thienylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chloro-2-methylphenyl)-4-[oxo-(thiophen-2-ylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chloro-2-methylphenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chloro-2-methyl-phenyl)-4-(2-thenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31ClN4O3S MolecularWeight: 515.06734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NCC3=CC=CS3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NCC3=CC=CS3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H31ClN4O3S/c1-17-21(27)8-5-9-22(17)31-23(18-10-12-30(13-11-18)25(33)34-26(2,3)4)20(16-29-31)24(32)28-15-19-7-6-14-35-19/h5-9,14,16,18H,10-13,15H2,1-4H3,(H,28,32)