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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C23H21F3N4O4 MolecularWeight: 474.43245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)OC(F)F)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)OC(F)F)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C23H21F3N4O4/c24-16-11-14-18(30(13-4-5-13)12-15(20(14)31)22(32)33)21(34-23(25)26)19(16)29-9-7-28(8-10-29)17-3-1-2-6-27-17/h1-3,6,11-13,23H,4-5,7-10H2,(H,32,33)