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

Systemtic Name: ethyl 1-[1-(2-chlorophenyl)-3,5-diethyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[1-(2-chlorophenyl)-3,5-diethyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[1-(2-chlorophenyl)-3,5-diethyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(2-chlorophenyl)-3,5-diethylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[1-(2-chlorophenyl)-3,5-diethyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C22H28ClN3O3 MolecularWeight: 417.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC=CC=C2Cl)CC)C(=O)N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2Cl)CC)C(=O)N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C22H28ClN3O3/c1-4-17-20(18(5-2)26(24-17)19-12-8-7-11-16(19)23)21(27)25-13-9-10-15(14-25)22(28)29-6-3/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3