6,8-bis(fluoranyl)-1-[(4-methylphenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-[(4-methylphenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-4-oxo-7-piperazin-1-yl-1-(p-tolylmethyl)quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-1-(4-methylbenzyl)-7-piperazino-quinoline-3-carboxylic acid Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C22H21F2N3O3/c1-13-2-4-14(5-3-13)11-27-12-16(22(29)30)21(28)15-10-17(23)20(18(24)19(15)27)26-8-6-25-7-9-26/h2-5,10,12,25H,6-9,11H2,1H3,(H,29,30)