1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylate Formula: C21H17F3N3O3- MolecularWeight: 416.37319

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)/p-1