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

Systemtic Name: 5-azanyl-7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-6-fluoranyl-1-(2-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-8-chloro-6-fluoro-1-(2-fluoro-4-methyl-phenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(3-amino-1-pyrrolidinyl)-8-chloro-6-fluoro-1-(2-fluoro-4-methylphenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(3-aminopyrrolidin-1-yl)-8-chloro-6-fluoro-1-(2-fluoro-4-methylphenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(3-aminopyrrolidino)-8-chloro-6-fluoro-1-(2-fluoro-4-methyl-phenyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19ClF2N4O3 MolecularWeight: 448.850366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)N)Cl)C(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)N)Cl)C(=O)O)F

InChI

InChI=1S/C21H19ClF2N4O3/c1-9-2-3-13(12(23)6-9)28-8-11(21(30)31)20(29)14-17(26)16(24)19(15(22)18(14)28)27-5-4-10(25)7-27/h2-3,6,8,10H,4-5,7,25-26H2,1H3,(H,30,31)