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

Systemtic Name: tert-butyl 4-[2-(3-methylphenyl)-4-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(m-tolyl)-4-(p-tolylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-methylphenyl)-4-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-methylphenyl)-4-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-methylbenzyl)carbamoyl]-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H36N4O3/c1-20-9-11-22(12-10-20)18-30-27(34)25-19-31-33(24-8-6-7-21(2)17-24)26(25)23-13-15-32(16-14-23)28(35)36-29(3,4)5/h6-12,17,19,23H,13-16,18H2,1-5H3,(H,30,34)