5-(cyanomethyl)-2-ethyl-4-(2-methylbutan-2-yl)benzenecarbonitrile

Systemtic Name: 5-(cyanomethyl)-2-ethyl-4-(2-methylbutan-2-yl)benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-4-(1,1-dimethylpropyl)-2-ethyl-benzonitrile CAS Name: 5-(cyanomethyl)-2-ethyl-4-(2-methylbutan-2-yl)benzonitrile IUPAC Name: 5-(cyanomethyl)-2-ethyl-4-(2-methylbutan-2-yl)benzonitrile Traditional Name: 4-tert-amyl-5-(cyanomethyl)-2-ethyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C#N)CC#N)C(C)(C)CC

Isomeric SMILES

CCC1=CC(=C(C=C1C#N)CC#N)C(C)(C)CC

InChI

InChI=1S/C16H20N2/c1-5-12-10-15(16(3,4)6-2)13(7-8-17)9-14(12)11-18/h9-10H,5-7H2,1-4H3