4-[2-(4-tert-butylcyclohexen-1-yl)ethynyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-tert-butylcyclohexen-1-yl)ethynyl]benzenecarbonitrile Openeye Name: 4-[2-(4-tert-butylcyclohexen-1-yl)ethynyl]benzonitrile CAS Name: 4-[2-(4-tert-butyl-1-cyclohexenyl)ethynyl]benzonitrile IUPAC Name: 4-[2-(4-tert-butylcyclohexen-1-yl)ethynyl]benzonitrile Traditional Name: 4-[2-(4-tert-butylcyclohexen-1-yl)ethynyl]benzonitrile Formula: C19H21N MolecularWeight: 263.37674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=CC1)C#CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C1CCC(=CC1)C#CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H21N/c1-19(2,3)18-12-10-16(11-13-18)5-4-15-6-8-17(14-20)9-7-15/h6-10,18H,11-13H2,1-3H3