2-[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]ethanenitrile

Systemtic Name: 2-[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]ethanenitrile Openeye Name: 2-[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]acetonitrile CAS Name: 2-[3-tert-butyl-5-(1-imidazolylmethyl)phenyl]acetonitrile IUPAC Name: 2-[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]acetonitrile Traditional Name: 2-[3-tert-butyl-5-(imidazol-1-ylmethyl)phenyl]acetonitrile Formula: C16H19N3 MolecularWeight: 253.34216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CN2C=CN=C2)CC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CN2C=CN=C2)CC#N

InChI

InChI=1S/C16H19N3/c1-16(2,3)15-9-13(4-5-17)8-14(10-15)11-19-7-6-18-12-19/h6-10,12H,4,11H2,1-3H3