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

Systemtic Name: 7-(4-ethanoylpiperazin-1-yl)-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-acetylpiperazin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-acetyl-1-piperazinyl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-acetylpiperazin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-acetylpiperazino)-6-fluoro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H19F2N3O4 MolecularWeight: 427.400766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C22H19F2N3O4/c1-13(28)25-6-8-26(9-7-25)20-11-19-16(10-18(20)24)21(29)17(22(30)31)12-27(19)15-4-2-14(23)3-5-15/h2-5,10-12H,6-9H2,1H3,(H,30,31)