1-ethyl-6-fluoranyl-7-[4-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(3-methyl-5-oxo-4H-pyrazol-1-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(5-keto-3-methyl-2-pyrazolin-1-yl)methyl]piperazino]quinoline-3-carboxylic acid Formula: C21H24FN5O4 MolecularWeight: 429.444763

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C(=O)CC(=N4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C(=O)CC(=N4)C)F)C(=O)O

InChI

InChI=1S/C21H24FN5O4/c1-3-25-11-15(21(30)31)20(29)14-9-16(22)18(10-17(14)25)26-6-4-24(5-7-26)12-27-19(28)8-13(2)23-27/h9-11H,3-8,12H2,1-2H3,(H,30,31)