6-fluoranyl-1-(4-fluorophenyl)-7-(4-methyl-3-oxidanylidene-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-7-(4-methyl-3-oxidanylidene-piperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methyl-3-oxo-piperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methyl-3-oxo-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methyl-3-oxopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-(3-keto-4-methyl-piperazino)quinoline-3-carboxylic acid Formula: C21H17F2N3O4 MolecularWeight: 413.374186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1=O)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CN1CCN(CC1=O)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C21H17F2N3O4/c1-24-6-7-25(11-19(24)27)18-9-17-14(8-16(18)23)20(28)15(21(29)30)10-26(17)13-4-2-12(22)3-5-13/h2-5,8-10H,6-7,11H2,1H3,(H,29,30)