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

Systemtic Name: ethyl 1-[5-(3-chlorophenyl)-2-ethyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3-chlorophenyl)-2-ethyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3-chlorophenyl)-2-ethyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3-chlorophenyl)-2-ethylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(3-chlorophenyl)-2-ethyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C2=CC(=CC=C2)Cl)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCN1C(=CC(=N1)C2=CC(=CC=C2)Cl)C(=O)N3CCCC(C3)C(=O)OCC

InChI

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