[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C20H22ClFN4O4 MolecularWeight: 436.864483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)Cl)C

InChI

InChI=1S/C20H22ClFN4O4/c1-12-18(19(21)24(3)23-12)20(29)30-11-17(28)26-8-6-25(7-9-26)16-5-4-14(13(2)27)10-15(16)22/h4-5,10H,6-9,11H2,1-3H3