5-[1-(4-pentylphenyl)ethyl]-2-(2-pentylpyrimidin-5-yl)benzenecarbonitrile

Systemtic Name: 5-[1-(4-pentylphenyl)ethyl]-2-(2-pentylpyrimidin-5-yl)benzenecarbonitrile Openeye Name: 5-[1-(4-pentylphenyl)ethyl]-2-(2-pentylpyrimidin-5-yl)benzonitrile CAS Name: 5-[1-(4-pentylphenyl)ethyl]-2-(2-pentyl-5-pyrimidinyl)benzonitrile IUPAC Name: 5-[1-(4-pentylphenyl)ethyl]-2-(2-pentylpyrimidin-5-yl)benzonitrile Traditional Name: 5-[1-(4-amylphenyl)ethyl]-2-(2-amylpyrimidin-5-yl)benzonitrile Formula: C29H35N3 MolecularWeight: 425.6083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C)C2=CC(=C(C=C2)C3=CN=C(N=C3)CCCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)C2=CC(=C(C=C2)C3=CN=C(N=C3)CCCCC)C#N

InChI

InChI=1S/C29H35N3/c1-4-6-8-10-23-12-14-24(15-13-23)22(3)25-16-17-28(26(18-25)19-30)27-20-31-29(32-21-27)11-9-7-5-2/h12-18,20-22H,4-11H2,1-3H3