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

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

CCN1C2=C(C=C(C=C2)F)C(=O)C(=C1N3CCNC(C3)C4=CC5=C(O4)C=CC(=C5)Cl)C(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)F)C(=O)C(=C1N3CCNC(C3)C4=CC5=C(O4)C=CC(=C5)Cl)C(=O)O

InChI

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