tert-butyl 4-[2-(3-chlorophenyl)-4-(4-methylpiperidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-methylpiperidin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-chlorophenyl)-4-[(4-methyl-1-piperidinyl)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-chlorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-chlorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H35ClN4O3 MolecularWeight: 487.0341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H35ClN4O3/c1-18-8-12-29(13-9-18)24(32)22-17-28-31(21-7-5-6-20(27)16-21)23(22)19-10-14-30(15-11-19)25(33)34-26(2,3)4/h5-7,16-19H,8-15H2,1-4H3