7-(2-azanyl-6-azaspiro[2.4]heptan-6-yl)-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(2-azanyl-6-azaspiro[2.4]heptan-6-yl)-1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-amino-6-azaspiro[2.4]heptan-6-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2-amino-6-azaspiro[2.4]heptan-6-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2-amino-6-azaspiro[2.4]heptan-6-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-amino-6-azaspiro[2.4]heptan-6-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H18F3N3O3 MolecularWeight: 429.39183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC12CC2N)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F

Isomeric SMILES

C1CN(CC12CC2N)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F

InChI

InChI=1S/C22H18F3N3O3/c23-11-1-2-16(14(24)5-11)28-9-13(21(30)31)20(29)12-6-15(25)18(7-17(12)28)27-4-3-22(10-27)8-19(22)26/h1-2,5-7,9,19H,3-4,8,10,26H2,(H,30,31)