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

Systemtic Name: tert-butyl 4-[2-(3-methylphenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(m-tolyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-methylphenyl)-4-[oxo-(2-pyridinylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-methylphenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(m-tolyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H33N5O3 MolecularWeight: 475.58262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CC=N3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCC3=CC=CC=N3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N5O3/c1-19-8-7-10-22(16-19)32-24(20-11-14-31(15-12-20)26(34)35-27(2,3)4)23(18-30-32)25(33)29-17-21-9-5-6-13-28-21/h5-10,13,16,18,20H,11-12,14-15,17H2,1-4H3,(H,29,33)