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

Systemtic Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2,4-dimethylphenyl)-4-[oxo-(phenethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,4-dimethylphenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H38N4O3 MolecularWeight: 502.64772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O3/c1-21-11-12-26(22(2)19-21)34-27(24-14-17-33(18-15-24)29(36)37-30(3,4)5)25(20-32-34)28(35)31-16-13-23-9-7-6-8-10-23/h6-12,19-20,24H,13-18H2,1-5H3,(H,31,35)