6,8-bis(fluoranyl)-1-(4-hydroxyphenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(4-hydroxyphenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(4-hydroxyphenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(4-hydroxyphenyl)-5-methyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(4-hydroxyphenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(4-hydroxyphenyl)-4-keto-5-methyl-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H21F2N3O4 MolecularWeight: 429.416646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCN(CC3)C)F)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCN(CC3)C)F)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H21F2N3O4/c1-12-16-19(18(24)20(17(12)23)26-9-7-25(2)8-10-26)27(11-15(21(16)29)22(30)31)13-3-5-14(28)6-4-13/h3-6,11,28H,7-10H2,1-2H3,(H,30,31)