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

Systemtic Name: ethyl 1-[5-(2-fluorophenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(2-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2-fluorophenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(2-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(2-fluorophenyl)-2-(4-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=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

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

InChI

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