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

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)-4-(3-piperidin-1-ylpropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-(1-piperidyl)propylcarbamoyl]-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)-4-[oxo-[3-(1-piperidinyl)propylamino]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)-4-(3-piperidin-1-ylpropylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-piperidinopropylcarbamoyl)-2-(p-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H43N5O3 MolecularWeight: 509.68342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCCCC3)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H43N5O3/c1-22-9-11-24(12-10-22)34-26(23-13-19-33(20-14-23)28(36)37-29(2,3)4)25(21-31-34)27(35)30-15-8-18-32-16-6-5-7-17-32/h9-12,21,23H,5-8,13-20H2,1-4H3,(H,30,35)