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

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-7-(1-piperazinyl)-1-[3-(trifluoromethyl)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-piperazino-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxylic acid Formula: C21H17F4N3O3 MolecularWeight: 435.371593

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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)C4=CC=CC(=C4)C(F)(F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H17F4N3O3/c22-16-9-14-17(10-18(16)27-6-4-26-5-7-27)28(11-15(19(14)29)20(30)31)13-3-1-2-12(8-13)21(23,24)25/h1-3,8-11,26H,4-7H2,(H,30,31)