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

Systemtic Name: 5-azanyl-7-[3-(1-azanylcyclopropyl)-4-methoxy-pyrrolidin-1-yl]-6-fluoranyl-1-(2-fluoranylcyclopropyl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-methoxy-pyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-methoxy-1-pyrrolidinyl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-methoxypyrrolidin-1-yl]-6-fluoro-1-(2-fluorocyclopropyl)-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(1-aminocyclopropyl)-4-methoxy-pyrrolidino]-6-fluoro-1-(2-fluorocyclopropyl)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H26F2N4O4 MolecularWeight: 448.463046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3F)N)F)N4CC(C(C4)OC)C5(CC5)N

Isomeric SMILES

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3F)N)F)N4CC(C(C4)OC)C5(CC5)N

InChI

InChI=1S/C22H26F2N4O4/c1-9-18-15(20(29)10(21(30)31)6-28(18)13-5-12(13)23)17(25)16(24)19(9)27-7-11(14(8-27)32-2)22(26)3-4-22/h6,11-14H,3-5,7-8,25-26H2,1-2H3,(H,30,31)