1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-(2-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-6-fluoranyl-4-oxidanylidene-7-(2-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-6-fluoro-4-oxo-7-(2-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-4-oxo-7-(2-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-4-oxo-7-(2-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-6-fluoro-4-keto-7-(2-phenylpiperazino)quinoline-3-carboxylic acid Formula: C24H26FN3O3 MolecularWeight: 423.479943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3C4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3C4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C24H26FN3O3/c1-24(2,3)28-14-17(23(30)31)22(29)16-11-18(25)20(12-19(16)28)27-10-9-26-13-21(27)15-7-5-4-6-8-15/h4-8,11-12,14,21,26H,9-10,13H2,1-3H3,(H,30,31)