1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-piperazino-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C17H17F4N3O3 MolecularWeight: 387.328793

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCNCC3)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCNCC3)F)C(=O)O

InChI

InChI=1S/C17H17F4N3O3/c1-2-23-8-10(16(26)27)15(25)9-7-11(18)14(24-5-3-22-4-6-24)12(13(9)23)17(19,20)21/h7-8,22H,2-6H2,1H3,(H,26,27)