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

Systemtic Name: 4-[(3-methylimidazol-4-yl)-[(2-methylphenyl)methoxy]methyl]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[(3-methylimidazol-4-yl)-(o-tolylmethoxy)methyl]-2-(o-tolyl)benzonitrile CAS Name: 4-[(3-methyl-4-imidazolyl)-[(2-methylphenyl)methoxy]methyl]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[(3-methylimidazol-4-yl)-[(2-methylphenyl)methoxy]methyl]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[(2-methylbenzyl)oxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile Formula: C27H25N3O MolecularWeight: 407.5069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(C2=CC(=C(C=C2)C#N)C3=CC=CC=C3C)C4=CN=CN4C

Isomeric SMILES

CC1=CC=CC=C1COC(C2=CC(=C(C=C2)C#N)C3=CC=CC=C3C)C4=CN=CN4C

InChI

InChI=1S/C27H25N3O/c1-19-8-4-6-10-23(19)17-31-27(26-16-29-18-30(26)3)21-12-13-22(15-28)25(14-21)24-11-7-5-9-20(24)2/h4-14,16,18,27H,17H2,1-3H3