ethyl 1-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2-fluorophenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C24H23FN4O5 MolecularWeight: 466.461623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C24H23FN4O5/c1-2-34-24(31)16-10-12-27(13-11-16)23(30)22-15-21(19-8-3-4-9-20(19)25)26-28(22)17-6-5-7-18(14-17)29(32)33/h3-9,14-16H,2,10-13H2,1H3