ethyl 3-[4-[4-fluoranyl-2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-[4-fluoranyl-2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]-oxomethyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C23H20F4N4O3 MolecularWeight: 476.423513

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C23H20F4N4O3/c1-2-34-22(33)19-20(29-18-6-4-3-5-17(18)28-19)30-9-11-31(12-10-30)21(32)15-8-7-14(24)13-16(15)23(25,26)27/h3-8,13H,2,9-12H2,1H3