6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-7-(1-piperazinyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-piperazino-1-[4-(trifluoromethyl)benzyl]quinoline-3-carboxylic acid Formula: C22H19F4N3O3 MolecularWeight: 449.398173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=C(C=C4)C(F)(F)F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=C(C=C4)C(F)(F)F)F

InChI

InChI=1S/C22H19F4N3O3/c23-17-9-15-18(10-19(17)28-7-5-27-6-8-28)29(12-16(20(15)30)21(31)32)11-13-1-3-14(4-2-13)22(24,25)26/h1-4,9-10,12,27H,5-8,11H2,(H,31,32)