2-(5-heptylpyrimidin-4-yl)benzenecarbonitrile

Systemtic Name: 2-(5-heptylpyrimidin-4-yl)benzenecarbonitrile Openeye Name: 2-(5-heptylpyrimidin-4-yl)benzonitrile CAS Name: 2-(5-heptyl-4-pyrimidinyl)benzonitrile IUPAC Name: 2-(5-heptylpyrimidin-4-yl)benzonitrile Traditional Name: 2-(5-heptylpyrimidin-4-yl)benzonitrile Formula: C18H21N3 MolecularWeight: 279.37944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=CN=C1C2=CC=CC=C2C#N

Isomeric SMILES

CCCCCCCC1=CN=CN=C1C2=CC=CC=C2C#N

InChI

InChI=1S/C18H21N3/c1-2-3-4-5-6-10-16-13-20-14-21-18(16)17-11-8-7-9-15(17)12-19/h7-9,11,13-14H,2-6,10H2,1H3