8-[bis(fluoranyl)methyl]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methyl]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethyl)-1-ethyl-6-fluoro-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C22H21F3N4O3 MolecularWeight: 446.42235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)F)N3CCN(CC3)C4=CC=CC=N4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)F)N3CCN(CC3)C4=CC=CC=N4)F)C(=O)O

InChI

InChI=1S/C22H21F3N4O3/c1-2-27-12-14(22(31)32)20(30)13-11-15(23)19(17(18(13)27)21(24)25)29-9-7-28(8-10-29)16-5-3-4-6-26-16/h3-6,11-12,21H,2,7-10H2,1H3,(H,31,32)