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

Systemtic Name: 6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-1-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Openeye Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride CAS Name: 6-fluoro-4-oxo-7-(1-piperazinyl)-1-(trifluoromethyl)-3-quinolinecarboxylic acid hydrochloride IUPAC Name: 6-fluoro-4-oxo-7-piperazin-1-yl-1-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Traditional Name: 6-fluoro-4-keto-7-piperazino-1-(trifluoromethyl)quinoline-3-carboxylic acid hydrochloride Formula: C15H14ClF4N3O3 MolecularWeight: 395.736573

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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)C(F)(F)F)F.Cl

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(F)(F)F)F.Cl

InChI

InChI=1S/C15H13F4N3O3.ClH/c16-10-5-8-11(6-12(10)21-3-1-20-2-4-21)22(15(17,18)19)7-9(13(8)23)14(24)25;/h5-7,20H,1-4H2,(H,24,25);1H