ethyl 8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Openeye Name: ethyl 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate CAS Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylate Traditional Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid ethyl ester Formula: C23H24F3N5O4 MolecularWeight: 491.46297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3N5O4/c1-3-29-13-15(21(33)34-4-2)19(32)14-12-16(24)18(20(17(14)29)35-22(25)26)30-8-10-31(11-9-30)23-27-6-5-7-28-23/h5-7,12-13,22H,3-4,8-11H2,1-2H3