7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(3,5-dimethylisoxazole-4-carbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(3,5-dimethylisoxazole-4-carbonyl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H23FN4O5 MolecularWeight: 442.440223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(ON=C4C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(ON=C4C)C)F)C(=O)O

InChI

InChI=1S/C22H23FN4O5/c1-4-25-11-15(22(30)31)20(28)14-9-16(23)18(10-17(14)25)26-5-7-27(8-6-26)21(29)19-12(2)24-32-13(19)3/h9-11H,4-8H2,1-3H3,(H,30,31)