4-[[5-(aminomethyl)imidazol-1-yl]methyl]-2-(2-chloranylphenoxy)benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[[5-(aminomethyl)imidazol-1-yl]methyl]-2-(2-chloranylphenoxy)benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[[5-(aminomethyl)imidazol-1-yl]methyl]-2-(2-chlorophenoxy)benzonitrile; 2,2,2-trifluoroacetic acid CAS Name: 4-[[5-(aminomethyl)-1-imidazolyl]methyl]-2-(2-chlorophenoxy)benzonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[[5-(aminomethyl)imidazol-1-yl]methyl]-2-(2-chlorophenoxy)benzonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 4-[[5-(aminomethyl)imidazol-1-yl]methyl]-2-(2-chlorophenoxy)benzonitrile; 2,2,2-trifluoroacetic acid Formula: C22H17ClF6N4O5 MolecularWeight: 566.837599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=C(C=CC(=C2)CN3C=NC=C3CN)C#N)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C(=C1)OC2=C(C=CC(=C2)CN3C=NC=C3CN)C#N)Cl.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H15ClN4O.2C2HF3O2/c19-16-3-1-2-4-17(16)24-18-7-13(5-6-14(18)8-20)11-23-12-22-10-15(23)9-21;2*3-2(4,5)1(6)7/h1-7,10,12H,9,11,21H2;2*(H,6,7)