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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C#N)C(C)(C)CC)CC#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C#N)C(C)(C)CC)CC#N

InChI

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