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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-ethyl-4-oxidanylidene-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethoxy)-1-ethyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-(difluoromethoxy)-1-ethyl-4-oxo-7-[4-(2-pyrimidinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethoxy)-1-ethyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethoxy)-1-ethyl-4-keto-7-[4-(2-pyrimidyl)piperazino]quinoline-3-carboxylic acid Formula: C21H21F2N5O4 MolecularWeight: 445.419346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)OC(F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)OC(F)F)C(=O)O

InChI

InChI=1S/C21H21F2N5O4/c1-2-26-12-14(19(30)31)17(29)13-4-5-15(18(16(13)26)32-20(22)23)27-8-10-28(11-9-27)21-24-6-3-7-25-21/h3-7,12,20H,2,8-11H2,1H3,(H,30,31)