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

Systemtic Name: 4-(cyanomethyl)-2-fluoranyl-5-(2-methylpropyl)benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-fluoro-5-isobutyl-benzonitrile CAS Name: 4-(cyanomethyl)-2-fluoro-5-(2-methylpropyl)benzonitrile IUPAC Name: 4-(cyanomethyl)-2-fluoro-5-(2-methylpropyl)benzonitrile Traditional Name: 4-(cyanomethyl)-2-fluoro-5-isobutyl-benzonitrile Formula: C13H13FN2 MolecularWeight: 216.254123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C(=C1)C#N)F)CC#N

Isomeric SMILES

CC(C)CC1=C(C=C(C(=C1)C#N)F)CC#N

InChI

InChI=1S/C13H13FN2/c1-9(2)5-11-6-12(8-16)13(14)7-10(11)3-4-15/h6-7,9H,3,5H2,1-2H3