5-azanyl-1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C16H19FN4O3 MolecularWeight: 334.345463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN4O3/c1-2-20-8-9(16(23)24)15(22)12-10(20)7-11(13(17)14(12)18)21-5-3-19-4-6-21/h7-8,19H,2-6,18H2,1H3,(H,23,24)