4-(cyanomethyl)-2-ethyl-5-(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-ethyl-5-(2-methylpropyl)benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-ethyl-5-isobutyl-benzonitrile CAS Name: 4-(cyanomethyl)-2-ethyl-5-(2-methylpropyl)benzonitrile IUPAC Name: 4-(cyanomethyl)-2-ethyl-5-(2-methylpropyl)benzonitrile Traditional Name: 4-(cyanomethyl)-2-ethyl-5-isobutyl-benzonitrile Formula: C15H18N2 MolecularWeight: 226.31682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2/c1-4-12-8-13(5-6-16)14(7-11(2)3)9-15(12)10-17/h8-9,11H,4-5,7H2,1-3H3