1-tert-butyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H24FN3O3 MolecularWeight: 373.421263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC4CCC3CN4)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC4CCC3CN4)F)C(=O)O

InChI

InChI=1S/C20H24FN3O3/c1-20(2,3)24-10-14(19(26)27)18(25)13-6-15(21)17(7-16(13)24)23-9-11-4-5-12(23)8-22-11/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,26,27)