ethyl 1-(1-ethylpyrazol-4-yl)carbonyl-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1-ethylpyrazol-4-yl)carbonyl-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(1-ethylpyrazole-4-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-3-[(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethylpyrazole-4-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(1-ethylpyrazole-4-carbonyl)-3-(2-fluorobenzyl)nipecotic acid ethyl ester Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C21H26FN3O3/c1-3-25-14-17(13-23-25)19(26)24-11-7-10-21(15-24,20(27)28-4-2)12-16-8-5-6-9-18(16)22/h5-6,8-9,13-14H,3-4,7,10-12,15H2,1-2H3