1-ethyl-6-fluoranyl-7-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(3-methylbenzoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(3-methylbenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-m-toluoylpiperazino)quinoline-3-carboxylic acid Formula: C24H24FN3O4 MolecularWeight: 437.463463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O4/c1-3-26-14-18(24(31)32)22(29)17-12-19(25)21(13-20(17)26)27-7-9-28(10-8-27)23(30)16-6-4-5-15(2)11-16/h4-6,11-14H,3,7-10H2,1-2H3,(H,31,32)