1-ethyl-6-fluoranyl-7-methanoyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-methanoyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-formyl-4-oxo-2-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-formyl-4-oxo-2-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-formyl-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-formyl-4-keto-2-piperazino-quinoline-3-carboxylic acid Formula: C17H18FN3O4 MolecularWeight: 347.340923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C(=C1N3CCNCC3)C(=O)O)F)C=O

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=C1N3CCNCC3)C(=O)O)F)C=O

InChI

InChI=1S/C17H18FN3O4/c1-2-21-13-7-10(9-22)12(18)8-11(13)15(23)14(17(24)25)16(21)20-5-3-19-4-6-20/h7-9,19H,2-6H2,1H3,(H,24,25)