4-[5-[4-(2-methylbutyl)cyclohexyl]pyrimidin-2-yl]benzenecarbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)CC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N3/c1-3-16(2)12-17-4-8-19(9-5-17)21-14-24-22(25-15-21)20-10-6-18(13-23)7-11-20/h6-7,10-11,14-17,19H,3-5,8-9,12H2,1-2H3