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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=C(C=C2)F)C(=O)C(=C1N3CCNC(C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)N1C2=C(C=C(C=C2)F)C(=O)C(=C1N3CCNC(C3)C4=CC=CC=C4)C(=O)O

InChI

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