3-(4-bromophenyl)-2-(4-heptylcyclohexyl)propanenitrile

Systemtic Name: 3-(4-bromophenyl)-2-(4-heptylcyclohexyl)propanenitrile Openeye Name: 3-(4-bromophenyl)-2-(4-heptylcyclohexyl)propanenitrile CAS Name: 3-(4-bromophenyl)-2-(4-heptylcyclohexyl)propanenitrile IUPAC Name: 3-(4-bromophenyl)-2-(4-heptylcyclohexyl)propanenitrile Traditional Name: 3-(4-bromophenyl)-2-(4-heptylcyclohexyl)propionitrile Formula: C22H32BrN MolecularWeight: 390.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(CC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(CC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C22H32BrN/c1-2-3-4-5-6-7-18-8-12-20(13-9-18)21(17-24)16-19-10-14-22(23)15-11-19/h10-11,14-15,18,20-21H,2-9,12-13,16H2,1H3