1-tert-butyl-6-fluoranyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-4-keto-7-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)quinoline-3-carboxylic acid Formula: C21H26FN3O3 MolecularWeight: 387.447843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC4CCC(C3)N4C)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC4CCC(C3)N4C)F)C(=O)O

InChI

InChI=1S/C21H26FN3O3/c1-21(2,3)25-11-15(20(27)28)19(26)14-7-16(22)18(8-17(14)25)24-9-12-5-6-13(10-24)23(12)4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,27,28)