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

Systemtic Name: ethyl 1-[5-(2-fluoranyl-4-methoxy-phenyl)-1-methyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(2-fluoro-4-methoxy-phenyl)-1-methyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(2-fluoro-4-methoxyphenyl)-1-methyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(2-fluoro-4-methoxy-phenyl)-1-methyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C20H24FN3O4 MolecularWeight: 389.420663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=C2)C3=C(C=C(C=C3)OC)F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C(=C2)C3=C(C=C(C=C3)OC)F)C

InChI

InChI=1S/C20H24FN3O4/c1-4-28-20(26)13-6-5-9-24(12-13)19(25)17-11-18(23(2)22-17)15-8-7-14(27-3)10-16(15)21/h7-8,10-11,13H,4-6,9,12H2,1-3H3