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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methyl-3-pyrazolyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-methyl-3-(1-methylpyrazol-3-yl)piperazino]quinoline-3-carboxylic acid Formula: C21H24FN5O3 MolecularWeight: 413.445363

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=NN(C=C4)C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=NN(C=C4)C)C)F)C(=O)O

InChI

InChI=1S/C21H24FN5O3/c1-4-26-11-14(21(29)30)20(28)13-9-15(22)18(10-17(13)26)27-8-7-24(2)19(12-27)16-5-6-25(3)23-16/h5-6,9-11,19H,4,7-8,12H2,1-3H3,(H,29,30)