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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(3-methylbenzofuran-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(3-methylbenzofuran-2-carbonyl)piperazino]quinoline-3-carboxylic acid Formula: C26H24FN3O5 MolecularWeight: 477.484263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5O4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5O4)C)F)C(=O)O

InChI

InChI=1S/C26H24FN3O5/c1-3-28-14-18(26(33)34)23(31)17-12-19(27)21(13-20(17)28)29-8-10-30(11-9-29)25(32)24-15(2)16-6-4-5-7-22(16)35-24/h4-7,12-14H,3,8-11H2,1-2H3,(H,33,34)