5-azanyl-3-oxidanidyl-1-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]imidazol-3-ium-4-carboxamide

Systemtic Name: 5-azanyl-3-oxidanidyl-1-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]imidazol-3-ium-4-carboxamide Openeye Name: 5-amino-3-oxido-1-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]imidazol-3-ium-4-carboxamide CAS Name: 5-amino-3-oxido-1-[4-[[oxo-[2-(1-pyrazolyl)-5-(trifluoromethyl)anilino]methyl]amino]phenyl]-4-imidazol-3-iumcarboxamide IUPAC Name: 5-amino-3-oxido-1-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]imidazol-3-ium-4-carboxamide Traditional Name: 5-amino-3-oxido-1-[4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]imidazol-3-ium-4-carboxamide Formula: C21H17F3N8O3 MolecularWeight: 486.40669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)N4C=[N+](C(=C4N)C(=O)N)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)N4C=[N+](C(=C4N)C(=O)N)[O-]

InChI

InChI=1S/C21H17F3N8O3/c22-21(23,24)12-2-7-16(31-9-1-8-27-31)15(10-12)29-20(34)28-13-3-5-14(6-4-13)30-11-32(35)17(18(30)25)19(26)33/h1-11H,25H2,(H2,26,33)(H2,28,29,34)