1-(5-azanyl-4-fluoranyl-2-methyl-phenyl)-6-fluoranyl-8-methyl-7-[3-(methylamino)azetidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(5-azanyl-4-fluoranyl-2-methyl-phenyl)-6-fluoranyl-8-methyl-7-[3-(methylamino)azetidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-4-fluoro-2-methyl-phenyl)-6-fluoro-8-methyl-7-[3-(methylamino)azetidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-4-fluoro-2-methylphenyl)-6-fluoro-8-methyl-7-[3-(methylamino)-1-azetidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-4-fluoro-2-methylphenyl)-6-fluoro-8-methyl-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-4-fluoro-2-methyl-phenyl)-6-fluoro-4-keto-8-methyl-7-[3-(methylamino)azetidin-1-yl]quinoline-3-carboxylic acid Formula: C22H22F2N4O3 MolecularWeight: 428.431886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C=C(C(=O)C3=CC(=C(C(=C32)C)N4CC(C4)NC)F)C(=O)O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1N2C=C(C(=O)C3=CC(=C(C(=C32)C)N4CC(C4)NC)F)C(=O)O)N)F

InChI

InChI=1S/C22H22F2N4O3/c1-10-4-15(23)17(25)6-18(10)28-9-14(22(30)31)21(29)13-5-16(24)20(11(2)19(13)28)27-7-12(8-27)26-3/h4-6,9,12,26H,7-8,25H2,1-3H3,(H,30,31)