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

Systemtic Name: 7-[3-(1-benzofuran-2-yl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(benzofuran-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(2-benzofuranyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-benzofuran-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(benzofuran-2-yl)piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H22FN3O4 MolecularWeight: 435.447583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC5=CC=CC=C5O4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)C4=CC5=CC=CC=C5O4)F)C(=O)O

InChI

InChI=1S/C24H22FN3O4/c1-2-27-12-16(24(30)31)23(29)15-10-17(25)20(11-19(15)27)28-8-7-26-18(13-28)22-9-14-5-3-4-6-21(14)32-22/h3-6,9-12,18,26H,2,7-8,13H2,1H3,(H,30,31)