1-[2,4-bis(fluoranyl)phenyl]-8-ethanoyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-ethanoyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-acetyl-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-acetyl-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-acetyl-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-acetyl-1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C22H18F3N3O4 MolecularWeight: 445.39123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=C(C=C(C=C4)F)F)C(=O)O

Isomeric SMILES

CC(=O)C1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=C(C=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C22H18F3N3O4/c1-11(29)18-19-13(9-16(25)20(18)27-6-4-26-5-7-27)21(30)14(22(31)32)10-28(19)17-3-2-12(23)8-15(17)24/h2-3,8-10,26H,4-7H2,1H3,(H,31,32)