ethyl 1-(1,5-dimethylpyrazol-3-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,5-dimethylpyrazol-3-yl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(1,5-dimethylpyrazole-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,5-dimethylpyrazole-3-carbonyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(1,5-dimethylpyrazole-3-carbonyl)-3-(4-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=NN(C(=C2)C)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NN(C(=C2)C)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3/c1-4-28-20(27)21(13-16-6-8-17(22)9-7-16)10-5-11-25(14-21)19(26)18-12-15(2)24(3)23-18/h6-9,12H,4-5,10-11,13-14H2,1-3H3