7-(3,5-dimethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 7-(3,5-dimethylpiperazin-1-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 7-(3,5-dimethylpiperazin-1-yl)-6,8-difluoro-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 7-(3,5-dimethylpiperazino)-6,8-difluoro-4-keto-1-phenyl-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(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

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