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

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H22ClFN4O3 MolecularWeight: 456.897183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22ClFN4O3/c1-2-32-23(31)28-13-11-27(12-14-28)22(30)21-15-20(16-3-7-18(25)8-4-16)26-29(21)19-9-5-17(24)6-10-19/h3-10,15H,2,11-14H2,1H3