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

Systemtic Name: 1-(4-azanyl-2-fluoranyl-phenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-amino-2-fluoro-phenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-amino-2-fluorophenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-amino-2-fluorophenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-amino-2-fluoro-phenyl)-7-(3,5-dimethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H22F2N4O3 MolecularWeight: 428.431886

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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)N)F)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)N)F)F

InChI

InChI=1S/C22H22F2N4O3/c1-11-8-27(9-12(2)26-11)20-7-19-14(6-17(20)24)21(29)15(22(30)31)10-28(19)18-4-3-13(25)5-16(18)23/h3-7,10-12,26H,8-9,25H2,1-2H3,(H,30,31)