p-[5-(trans-4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile

72785-09-2

CAS Name

4-[5-(trans-4-Pentylcyclohexyl)-2-pyrimidinyl]benzonitrile

Molecular Formula

C₂₂H₂₇N₃

Molecular Mass

333.47

Other Names and Identifiers

InChI

InChI=1/C22H27N3/c1-2-3-4-5-17-6-10-19(11-7-17)21-15-24-22(25-16-21)20-12-8-18(14-23)9-13-20/h8-9,12-13,15-17,19H,2-7,10-11H2,1H3/t17-,19-

InChIKey

InChIKey=XIXOFKHADLKBQN-UAPYVXQJNA-N

SMILES

C(CCCC)[C@H]1CC[C@H](C=2C=NC(=NC2)C3=CC=C(C#N)C=C3)CC1

Canonical SMILES

N#CC=1C=CC(=CC1)C2=NC=C(C=N2)C3CCC(CCCCC)CC3

Other Names for this Substance