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

Systemtic Name: 5-azanyl-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-(2,4-difluorophenyl)-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)N)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)N)F

InChI

InChI=1S/C21H19F3N4O3/c1-10-8-27(5-4-26-10)16-7-15-17(19(25)18(16)24)20(29)12(21(30)31)9-28(15)14-3-2-11(22)6-13(14)23/h2-3,6-7,9-10,26H,4-5,8,25H2,1H3,(H,30,31)