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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-cyclopropyl-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-cyclopropyl-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-cyclopropyl-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-cyclopropyl-1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C23H20F3N3O3 MolecularWeight: 443.41841

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C3C(=CC(=C2N4CCNCC4)F)C(=O)C(=CN3C5=C(C=C(C=C5)F)F)C(=O)O

Isomeric SMILES

C1CC1C2=C3C(=CC(=C2N4CCNCC4)F)C(=O)C(=CN3C5=C(C=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C23H20F3N3O3/c24-13-3-4-18(16(25)9-13)29-11-15(23(31)32)22(30)14-10-17(26)21(28-7-5-27-6-8-28)19(20(14)29)12-1-2-12/h3-4,9-12,27H,1-2,5-8H2,(H,31,32)