1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylcarbonyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(phenylcarbonyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzoylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-benzoyl-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzoylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzoylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H22FN3O4 MolecularWeight: 423.436883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C23H22FN3O4/c1-2-25-14-17(23(30)31)21(28)16-12-18(24)20(13-19(16)25)26-8-10-27(11-9-26)22(29)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,30,31)