2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 2-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 2-[5-(4-amylcyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C22H27N3 MolecularWeight: 333.46988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N3/c1-2-3-4-7-17-10-12-18(13-11-17)20-15-24-22(25-16-20)21-9-6-5-8-19(21)14-23/h5-6,8-9,15-18H,2-4,7,10-13H2,1H3