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

Systemtic Name: ethyl (3R)-1-[1-(2-chlorophenyl)-5-ethyl-3-methyl-pyrazol-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[1-(2-chlorophenyl)-5-ethyl-3-methyl-pyrazole-4-carbonyl]piperidine-3-carboxylate CAS Name: (3R)-1-[[1-(2-chlorophenyl)-5-ethyl-3-methyl-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[1-(2-chlorophenyl)-5-ethyl-3-methylpyrazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[1-(2-chlorophenyl)-5-ethyl-3-methyl-pyrazole-4-carbonyl]nipecotic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C(=NN1C2=CC=CC=C2Cl)C)C(=O)N3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C21H26ClN3O3/c1-4-17-19(14(3)23-25(17)18-11-7-6-10-16(18)22)20(26)24-12-8-9-15(13-24)21(27)28-5-2/h6-7,10-11,15H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1