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

Systemtic Name: ethyl 1-[1-(3-chlorophenyl)-5-ethyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(3-chlorophenyl)-5-ethyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C20H24ClN3O3/c1-3-18-17(12-22-24(18)16-9-5-8-15(21)11-16)19(25)23-10-6-7-14(13-23)20(26)27-4-2/h5,8-9,11-12,14H,3-4,6-7,10,13H2,1-2H3