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

Systemtic Name: ethyl 4-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(2-fluorophenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(2-fluorophenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H22FN5O5 MolecularWeight: 467.449683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C23H22FN5O5/c1-2-34-23(31)27-12-10-26(11-13-27)22(30)21-15-20(18-8-3-4-9-19(18)24)25-28(21)16-6-5-7-17(14-16)29(32)33/h3-9,14-15H,2,10-13H2,1H3