5-fluoranyl-4-oxidanylidene-3-[[4-piperazin-1-yl-8-(trifluoromethyl)quinolin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[4-piperazin-1-yl-8-(trifluoromethyl)quinolin-3-yl]carbonylamino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[4-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carbonyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[oxo-[4-(1-piperazinyl)-8-(trifluoromethyl)-3-quinolinyl]methyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[4-piperazin-1-yl-8-(trifluoromethyl)quinoline-3-carbonyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[4-piperazino-8-(trifluoromethyl)quinoline-3-carbonyl]amino]valeric acid Formula: C20H20F4N4O4 MolecularWeight: 456.390813

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C=CC=C(C3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=C3C=CC=C(C3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)C(F)(F)F

InChI

InChI=1S/C20H20F4N4O4/c21-9-15(29)14(8-16(30)31)27-19(32)12-10-26-17-11(2-1-3-13(17)20(22,23)24)18(12)28-6-4-25-5-7-28/h1-3,10,14,25H,4-9H2,(H,27,32)(H,30,31)