4-[3-fluoranyl-4-[[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidanidyl-pyridin-1-ium-2-carboxamide

Systemtic Name: 4-[3-fluoranyl-4-[[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: 4-[3-fluoro-4-[[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: 4-[3-fluoro-4-[[[2-(1-imidazolyl)-5-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-methyl-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: 4-[3-fluoro-4-[[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: 4-[3-fluoro-4-[[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxido-pyridin-1-ium-2-carboxamide Formula: C24H18F4N6O4 MolecularWeight: 530.431133

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=CN=C4)F)[O-]

Isomeric SMILES

CNC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=CN=C4)F)[O-]

InChI

InChI=1S/C24H18F4N6O4/c1-29-22(35)21-12-16(6-8-34(21)37)38-15-3-4-18(17(25)11-15)31-23(36)32-19-10-14(24(26,27)28)2-5-20(19)33-9-7-30-13-33/h2-13H,1H3,(H,29,35)(H2,31,32,36)