7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-tert-butyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-tert-butyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-tert-butyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-tert-butyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-tert-butyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-tert-butyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC4C=CC=CC4(C3)N)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC4C=CC=CC4(C3)N)F)C(=O)O

InChI

InChI=1S/C22H24FN3O3/c1-21(2,3)26-11-15(20(28)29)19(27)14-8-16(23)18(9-17(14)26)25-10-13-6-4-5-7-22(13,24)12-25/h4-9,11,13H,10,12,24H2,1-3H3,(H,28,29)