1-(2,4-dimethylphenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(2,4-dimethylphenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-dimethylphenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-dimethylphenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-dimethylphenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-dimethylphenyl)-7-(3,5-dimethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H26FN3O3 MolecularWeight: 423.479943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)C)C)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)C)C)F

InChI

InChI=1S/C24H26FN3O3/c1-13-5-6-20(14(2)7-13)28-12-18(24(30)31)23(29)17-8-19(25)22(9-21(17)28)27-10-15(3)26-16(4)11-27/h5-9,12,15-16,26H,10-11H2,1-4H3,(H,30,31)