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

Systemtic Name: 4-[(4-tert-butylphenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzenecarbonitrile Openeye Name: 4-[(4-tert-butylphenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile CAS Name: 4-[(4-tert-butylphenyl)methoxy-(3-methyl-4-imidazolyl)methyl]-2-(2-methylphenyl)benzonitrile IUPAC Name: 4-[(4-tert-butylphenyl)methoxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile Traditional Name: 4-[(4-tert-butylbenzyl)oxy-(3-methylimidazol-4-yl)methyl]-2-(o-tolyl)benzonitrile Formula: C30H31N3O MolecularWeight: 449.58664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O/c1-21-8-6-7-9-26(21)27-16-23(12-13-24(27)17-31)29(28-18-32-20-33(28)5)34-19-22-10-14-25(15-11-22)30(2,3)4/h6-16,18,20,29H,19H2,1-5H3