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

Systemtic Name: 4-[[2-(4-tert-butylphenyl)-4-chloranyl-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[2-(4-tert-butylphenyl)-4-chloro-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[2-(4-tert-butylphenyl)-4-chlorophenyl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[2-(4-tert-butylphenyl)-4-chlorophenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[2-(4-tert-butylphenyl)-4-chloro-benzyl]oxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C29H28ClN3O MolecularWeight: 470.00512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)COC(C3=CC=C(C=C3)C#N)C4=CN=CN4C

InChI

InChI=1S/C29H28ClN3O/c1-29(2,3)24-12-9-21(10-13-24)26-15-25(30)14-11-23(26)18-34-28(27-17-32-19-33(27)4)22-7-5-20(16-31)6-8-22/h5-15,17,19,28H,18H2,1-4H3