1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(3-oxidanylidenebutan-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(3-oxidanylidenebutan-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(1-methyl-2-oxo-propyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(3-oxobutan-2-yl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(3-oxobutan-2-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(2-keto-1-methyl-propyl)piperazino]quinoline-3-carboxylic acid Formula: C20H24FN3O4 MolecularWeight: 389.420663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C)C(=O)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C)C(=O)C)F)C(=O)O

InChI

InChI=1S/C20H24FN3O4/c1-4-22-11-15(20(27)28)19(26)14-9-16(21)18(10-17(14)22)24-7-5-23(6-8-24)12(2)13(3)25/h9-12H,4-8H2,1-3H3,(H,27,28)