7-(4-butanoyl-2,5-dimethyl-piperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-butanoyl-2,5-dimethyl-piperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-butanoyl-2,5-dimethyl-piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[2,5-dimethyl-4-(1-oxobutyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-butanoyl-2,5-dimethylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-butyryl-2,5-dimethyl-piperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H28FN3O4 MolecularWeight: 429.484523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC(N(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C

Isomeric SMILES

CCCC(=O)N1CC(N(CC1C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C

InChI

InChI=1S/C23H28FN3O4/c1-4-5-21(28)26-11-13(2)25(10-14(26)3)20-9-19-16(8-18(20)24)22(29)17(23(30)31)12-27(19)15-6-7-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,30,31)