1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C20H17F3N4O3 MolecularWeight: 418.36919

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4F)F)N)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4F)F)N)F

InChI

InChI=1S/C20H17F3N4O3/c21-12-6-14(23)18(7-15(12)24)27-9-11(20(29)30)19(28)10-5-13(22)17(8-16(10)27)26-3-1-25-2-4-26/h5-9,25H,1-4,24H2,(H,29,30)