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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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