5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(2-methylisoindolin-5-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-4-keto-7-(2-methylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C22H19F2N3O3 MolecularWeight: 411.401366

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C1)C=C(C=C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F

Isomeric SMILES

CN1CC2=C(C1)C=C(C=C2)C3=C(C4=C(C(=C3F)N)C(=O)C(=CN4C5CC5)C(=O)O)F

InChI

InChI=1S/C22H19F2N3O3/c1-26-7-11-3-2-10(6-12(11)8-26)15-17(23)19(25)16-20(18(15)24)27(13-4-5-13)9-14(21(16)28)22(29)30/h2-3,6,9,13H,4-5,7-8,25H2,1H3,(H,29,30)