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

Systemtic Name: 3-(cyanomethyl)-2-ethyl-5-(2-methylbutan-2-yl)benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-5-(1,1-dimethylpropyl)-2-ethyl-benzonitrile CAS Name: 3-(cyanomethyl)-2-ethyl-5-(2-methylbutan-2-yl)benzonitrile IUPAC Name: 3-(cyanomethyl)-2-ethyl-5-(2-methylbutan-2-yl)benzonitrile Traditional Name: 5-tert-amyl-3-(cyanomethyl)-2-ethyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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