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

Systemtic Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-1-(2-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(2-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1-(2-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(2-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3,5-dimethylpiperazino)-6-fluoro-1-(2-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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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=CC=CC=C4F)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4F)F

InChI

InChI=1S/C22H21F2N3O3/c1-12-9-26(10-13(2)25-12)20-8-19-14(7-17(20)24)21(28)15(22(29)30)11-27(19)18-6-4-3-5-16(18)23/h3-8,11-13,25H,9-10H2,1-2H3,(H,29,30)