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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20F3N3O3/c1-12(2)19-20-14(10-17(26)21(19)28-7-5-27-6-8-28)22(30)15(23(31)32)11-29(20)18-4-3-13(24)9-16(18)25/h3-4,9-11,27H,1,5-8H2,2H3,(H,31,32)