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

Systemtic Name: 7-[3-(5-chloranyl-1-benzofuran-2-yl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(5-chlorobenzofuran-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(5-chloro-2-benzofuranyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(5-chloro-1-benzofuran-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(5-chlorobenzofuran-2-yl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H21ClFN3O4 MolecularWeight: 469.892643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC5=C(O4)C=CC(=C5)Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC5=C(O4)C=CC(=C5)Cl)F)C(=O)O

InChI

InChI=1S/C24H21ClFN3O4/c1-2-28-11-16(24(31)32)23(30)15-9-17(26)20(10-19(15)28)29-6-5-27-18(12-29)22-8-13-7-14(25)3-4-21(13)33-22/h3-4,7-11,18,27H,2,5-6,12H2,1H3,(H,31,32)