7-chloranyl-1-[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-[3-chloranyl-4-(4-methylpiperazin-1-yl)phenyl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-1-[3-chloro-4-(4-methyl-1-piperazinyl)phenyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-[3-chloro-4-(4-methylpiperazino)phenyl]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H18Cl2FN3O3 MolecularWeight: 450.290323

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)Cl)F)C(=O)O)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)Cl)F)C(=O)O)Cl

InChI

InChI=1S/C21H18Cl2FN3O3/c1-25-4-6-26(7-5-25)18-3-2-12(8-16(18)23)27-11-14(21(29)30)20(28)13-9-17(24)15(22)10-19(13)27/h2-3,8-11H,4-7H2,1H3,(H,29,30)