1-ethyl-6-fluoranyl-5-methyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-5-methyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-5-methyl-4-oxo-2-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-5-methyl-4-oxo-2-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-5-methyl-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-5-methyl-2-piperazino-quinoline-3-carboxylic acid Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)F)C)C(=O)C(=C1N3CCNCC3)C(=O)O

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)F)C)C(=O)C(=C1N3CCNCC3)C(=O)O

InChI

InChI=1S/C17H20FN3O3/c1-3-21-12-5-4-11(18)10(2)13(12)15(22)14(17(23)24)16(21)20-8-6-19-7-9-20/h4-5,19H,3,6-9H2,1-2H3,(H,23,24)