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

Systemtic Name: 4-[(3-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[(3-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile CAS Name: 4-[(3-cyanophenyl)methoxy-(3-methyl-4-imidazolyl)methyl]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[(3-cyanophenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[(3-cyanobenzyl)oxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile Formula: C27H22N4O MolecularWeight: 418.48978

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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)C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O/c1-19-6-3-4-9-24(19)25-13-22(10-11-23(25)15-29)27(26-16-30-18-31(26)2)32-17-21-8-5-7-20(12-21)14-28/h3-13,16,18,27H,17H2,1-2H3