6-fluoranyl-1-(3-methylbut-2-enyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-2-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(3-methylbut-2-enyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-2-phenyl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(3-methylbut-2-enyl)-7-(4-methylpiperazin-1-yl)-4-oxo-2-phenyl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(3-methylbut-2-enyl)-7-(4-methyl-1-piperazinyl)-4-oxo-2-phenyl-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(3-methylbut-2-enyl)-7-(4-methylpiperazin-1-yl)-4-oxo-2-phenylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(3-methylbut-2-enyl)-7-(4-methylpiperazino)-2-phenyl-quinoline-3-carboxylic acid Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=CC(=C(C=C2C(=O)C(=C1C3=CC=CC=C3)C(=O)O)F)N4CCN(CC4)C)C

Isomeric SMILES

CC(=CCN1C2=CC(=C(C=C2C(=O)C(=C1C3=CC=CC=C3)C(=O)O)F)N4CCN(CC4)C)C

InChI

InChI=1S/C26H28FN3O3/c1-17(2)9-10-30-21-16-22(29-13-11-28(3)12-14-29)20(27)15-19(21)25(31)23(26(32)33)24(30)18-7-5-4-6-8-18/h4-9,15-16H,10-14H2,1-3H3,(H,32,33)