ethyl 1-[5-[3,4-bis(fluoranyl)phenyl]-1-methyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[3,4-bis(fluoranyl)phenyl]-1-methyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(3,4-difluorophenyl)-1-methyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(3,4-difluorophenyl)-1-methyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,4-difluorophenyl)-1-methylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(3,4-difluorophenyl)-1-methyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C19H21F2N3O3 MolecularWeight: 377.385146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F2N3O3/c1-3-27-19(26)13-5-4-8-24(11-13)18(25)16-10-17(23(2)22-16)12-6-7-14(20)15(21)9-12/h6-7,9-10,13H,3-5,8,11H2,1-2H3