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

Systemtic Name: ethyl 1-(5-ethyl-2-methyl-pyrazol-3-yl)carbonyl-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[(5-ethyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(2-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-ethyl-2-methylpyrazole-3-carbonyl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-(5-ethyl-2-methyl-pyrazole-3-carbonyl)-3-(2-fluorobenzyl)nipecotic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N2CCCC(C2)(CC3=CC=CC=C3F)C(=O)OCC)C

InChI

InChI=1S/C22H28FN3O3/c1-4-17-13-19(25(3)24-17)20(27)26-12-8-11-22(15-26,21(28)29-5-2)14-16-9-6-7-10-18(16)23/h6-7,9-10,13H,4-5,8,11-12,14-15H2,1-3H3