4-[(3-iodanylphenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzenecarbonitrile

Systemtic Name: 4-[(3-iodanylphenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[(3-iodophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile CAS Name: 4-[(3-iodophenyl)methoxy-(3-methyl-4-imidazolyl)methyl]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[(3-iodophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[(3-iodobenzyl)oxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile Formula: C26H22IN3O MolecularWeight: 519.37685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC(=CC=C4)I)C#N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C3=CN=CN3C)OCC4=CC(=CC=C4)I)C#N

InChI

InChI=1S/C26H22IN3O/c1-18-6-3-4-9-23(18)24-13-20(10-11-21(24)14-28)26(25-15-29-17-30(25)2)31-16-19-7-5-8-22(27)12-19/h3-13,15,17,26H,16H2,1-2H3