ethyl 1-[5-(2-chlorophenyl)-2-(4-methylphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(2-chlorophenyl)-2-(4-methylphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(2-chlorophenyl)-2-(p-tolyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2-chlorophenyl)-2-(4-methylphenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-chlorophenyl)-2-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(2-chlorophenyl)-2-(p-tolyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H26ClN3O3/c1-3-32-25(31)18-12-14-28(15-13-18)24(30)23-16-22(20-6-4-5-7-21(20)26)27-29(23)19-10-8-17(2)9-11-19/h4-11,16,18H,3,12-15H2,1-2H3