2-(3-butylphenyl)-2-(4-chlorophenyl)-2-imidazol-1-yl-ethanenitrile

Systemtic Name: 2-(3-butylphenyl)-2-(4-chlorophenyl)-2-imidazol-1-yl-ethanenitrile Openeye Name: 2-(3-butylphenyl)-2-(4-chlorophenyl)-2-imidazol-1-yl-acetonitrile CAS Name: 2-(3-butylphenyl)-2-(4-chlorophenyl)-2-(1-imidazolyl)acetonitrile IUPAC Name: 2-(3-butylphenyl)-2-(4-chlorophenyl)-2-imidazol-1-ylacetonitrile Traditional Name: 2-(3-butylphenyl)-2-(4-chlorophenyl)-2-imidazol-1-yl-acetonitrile Formula: C21H20ClN3 MolecularWeight: 349.8566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)C(C#N)(C2=CC=C(C=C2)Cl)N3C=CN=C3

Isomeric SMILES

CCCCC1=CC(=CC=C1)C(C#N)(C2=CC=C(C=C2)Cl)N3C=CN=C3

InChI

InChI=1S/C21H20ClN3/c1-2-3-5-17-6-4-7-19(14-17)21(15-23,25-13-12-24-16-25)18-8-10-20(22)11-9-18/h4,6-14,16H,2-3,5H2,1H3