2-(3-tert-butylphenoxy)-4-(imidazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-(3-tert-butylphenoxy)-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-(3-tert-butylphenoxy)-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-(3-tert-butylphenoxy)-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-(3-tert-butylphenoxy)-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 2-(3-tert-butylphenoxy)-4-(imidazol-1-ylmethyl)benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)OC2=C(C=CC(=C2)CN3C=CN=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)OC2=C(C=CC(=C2)CN3C=CN=C3)C#N

InChI

InChI=1S/C21H21N3O/c1-21(2,3)18-5-4-6-19(12-18)25-20-11-16(7-8-17(20)13-22)14-24-10-9-23-15-24/h4-12,15H,14H2,1-3H3