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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-keto-7-(4-phenylpiperazino)quinoline-3-carboxylic acid Formula: C24H22F3N3O4 MolecularWeight: 473.44439

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=C5)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22F3N3O4/c25-18-12-16-19(30(15-6-7-15)13-17(21(16)31)23(32)33)22(34-24(26)27)20(18)29-10-8-28(9-11-29)14-4-2-1-3-5-14/h1-5,12-13,15,24H,6-11H2,(H,32,33)