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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-5-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H18F3N3O3/c1-11-18-16(9-17(19(11)24)26-6-4-25-5-7-26)27(10-13(20(18)28)21(29)30)15-3-2-12(22)8-14(15)23/h2-3,8-10,25H,4-7H2,1H3,(H,29,30)