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

Systemtic Name: tert-butyl 4-[2-(4-methoxyphenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-methoxyphenyl)-4-(2-thienylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methoxyphenyl)-4-[oxo-(thiophen-2-ylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methoxyphenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-methoxyphenyl)-4-(2-thenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)NCC4=CC=CS4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)OC)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C26H32N4O4S/c1-26(2,3)34-25(32)29-13-11-18(12-14-29)23-22(24(31)27-16-21-6-5-15-35-21)17-28-30(23)19-7-9-20(33-4)10-8-19/h5-10,15,17-18H,11-14,16H2,1-4H3,(H,27,31)