1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C20H16ClF3N4O3 MolecularWeight: 452.81425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4F)F)N)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4F)F)N)F

InChI

InChI=1S/C20H16ClF3N4O3/c21-16-17-9(5-13(24)18(16)27-3-1-26-2-4-27)19(29)10(20(30)31)8-28(17)15-7-14(25)11(22)6-12(15)23/h5-8,26H,1-4,25H2,(H,30,31)