5-fluoranyl-4-oxidanylidene-3-[[4-piperazin-1-yl-7-(trifluoromethyl)quinolin-3-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-fluoranyl-4-oxidanylidene-3-[[4-piperazin-1-yl-7-(trifluoromethyl)quinolin-3-yl]carbonylamino]pentanoic acid Openeye Name: 5-fluoro-4-oxo-3-[[4-piperazin-1-yl-7-(trifluoromethyl)quinoline-3-carbonyl]amino]pentanoic acid CAS Name: 5-fluoro-4-oxo-3-[[oxo-[4-(1-piperazinyl)-7-(trifluoromethyl)-3-quinolinyl]methyl]amino]pentanoic acid IUPAC Name: 5-fluoro-4-oxo-3-[[4-piperazin-1-yl-7-(trifluoromethyl)quinoline-3-carbonyl]amino]pentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[4-piperazino-7-(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(=CC3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=C3C=CC(=CC3=NC=C2C(=O)NC(CC(=O)O)C(=O)CF)C(F)(F)F

InChI

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