ethyl 1-[2-ethyl-5-(2-fluoranyl-4-methoxy-phenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-ethyl-5-(2-fluoranyl-4-methoxy-phenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-ethyl-5-(2-fluoro-4-methoxy-phenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-ethyl-5-(2-fluoro-4-methoxyphenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-ethyl-5-(2-fluoro-4-methoxyphenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-ethyl-5-(2-fluoro-4-methoxy-phenyl)pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4/c1-4-25-19(12-18(23-25)16-9-8-15(28-3)11-17(16)22)20(26)24-10-6-7-14(13-24)21(27)29-5-2/h8-9,11-12,14H,4-7,10,13H2,1-3H3