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

Systemtic Name: 7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoranyl-1-(1-fluoranyl-2-methyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H23F2N3O3 MolecularWeight: 415.433126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23F2N3O3/c1-21(2,11-23)27-10-15(20(29)30)19(28)14-7-16(24)18(8-17(14)27)26-9-13-5-3-4-6-22(13,25)12-26/h3-8,10,13H,9,11-12,25H2,1-2H3,(H,29,30)