ethyl 1-[5-(3-fluorophenyl)-1-methyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(3-fluorophenyl)-1-methyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3-fluorophenyl)-1-methyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3-fluorophenyl)-1-methyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3-fluorophenyl)-1-methylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(3-fluorophenyl)-1-methyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3/c1-3-26-19(25)14-7-5-9-23(12-14)18(24)16-11-17(22(2)21-16)13-6-4-8-15(20)10-13/h4,6,8,10-11,14H,3,5,7,9,12H2,1-2H3