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

Systemtic Name: ethyl 1-[2-(4-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-chlorophenyl)-5-(3,4-dimethylphenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-chlorophenyl)-5-(3,4-dimethylphenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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)Cl)C4=CC(=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O3/c1-4-33-26(32)19-11-13-29(14-12-19)25(31)24-16-23(20-6-5-17(2)18(3)15-20)28-30(24)22-9-7-21(27)8-10-22/h5-10,15-16,19H,4,11-14H2,1-3H3