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

Systemtic Name: 1-(2,4-dimethylphenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-dimethylphenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2,4-dimethylphenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-dimethylphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,4-dimethylphenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)C

InChI

InChI=1S/C22H22FN3O3/c1-13-3-4-18(14(2)9-13)26-12-16(22(28)29)21(27)15-10-17(23)20(11-19(15)26)25-7-5-24-6-8-25/h3-4,9-12,24H,5-8H2,1-2H3,(H,28,29)