1-[1,3-bis(fluoranyl)-2-methyl-propan-2-yl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[1,3-bis(fluoranyl)-2-methyl-propan-2-yl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[2-fluoro-1-(fluoromethyl)-1-methyl-ethyl]-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(1,3-difluoro-2-methylpropan-2-yl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(1,3-difluoro-2-methylpropan-2-yl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[2-fluoro-1-(fluoromethyl)-1-methyl-ethyl]-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H20F3N3O3 MolecularWeight: 383.36491

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Descriptors Computed from Structure

Canonical SMILES:

CC(CF)(CF)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O

Isomeric SMILES

CC(CF)(CF)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O

InChI

InChI=1S/C18H20F3N3O3/c1-18(9-19,10-20)24-8-12(17(26)27)16(25)11-6-13(21)15(7-14(11)24)23-4-2-22-3-5-23/h6-8,22H,2-5,9-10H2,1H3,(H,26,27)