5-azanyl-7-[3-(1-azanylcyclopropyl)pyrrolidin-1-yl]-6-fluoranyl-1-(2-fluoranylcyclopropyl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-[3-(1-azanylcyclopropyl)pyrrolidin-1-yl]-6-fluoranyl-1-(2-fluoranylcyclopropyl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(1-aminocyclopropyl)-1-pyrrolidinyl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(1-aminocyclopropyl)pyrrolidino]-6-fluoro-1-(2-fluorocyclopropyl)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H24F2N4O3 MolecularWeight: 418.437066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3F)N)F)N4CCC(C4)C5(CC5)N

Isomeric SMILES

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3F)N)F)N4CCC(C4)C5(CC5)N

InChI

InChI=1S/C21H24F2N4O3/c1-9-17-14(19(28)11(20(29)30)8-27(17)13-6-12(13)22)16(24)15(23)18(9)26-5-2-10(7-26)21(25)3-4-21/h8,10,12-13H,2-7,24-25H2,1H3,(H,29,30)