ethyl 1-(2,5-dimethylpyrazol-3-yl)carbonyl-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2,5-dimethylpyrazol-3-yl)carbonyl-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2,5-dimethylpyrazole-3-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-3-[(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,5-dimethylpyrazole-3-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(2,5-dimethylpyrazole-3-carbonyl)-3-(2-fluorobenzyl)nipecotic acid ethyl ester Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2C)C)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC(=NN2C)C)CC3=CC=CC=C3F

InChI

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