7-[3-(5-chloranyl-1-benzofuran-2-yl)-4-methyl-piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(5-chloranyl-1-benzofuran-2-yl)-4-methyl-piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(5-chlorobenzofuran-2-yl)-4-methyl-piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(5-chloro-2-benzofuranyl)-4-methyl-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(5-chloro-1-benzofuran-2-yl)-4-methylpiperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(5-chlorobenzofuran-2-yl)-4-methyl-piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H23ClFN3O4 MolecularWeight: 483.919223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC5=C(O4)C=CC(=C5)Cl)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(C(C3)C4=CC5=C(O4)C=CC(=C5)Cl)C)F)C(=O)O

InChI

InChI=1S/C25H23ClFN3O4/c1-3-29-12-17(25(32)33)24(31)16-10-18(27)20(11-19(16)29)30-7-6-28(2)21(13-30)23-9-14-8-15(26)4-5-22(14)34-23/h4-5,8-12,21H,3,6-7,13H2,1-2H3,(H,32,33)