1-(5-butylpyrimidin-2-yl)-4-heptyl-cyclohexane-1-carbonitrile

Systemtic Name: 1-(5-butylpyrimidin-2-yl)-4-heptyl-cyclohexane-1-carbonitrile Openeye Name: 1-(5-butylpyrimidin-2-yl)-4-heptyl-cyclohexanecarbonitrile CAS Name: 1-(5-butyl-2-pyrimidinyl)-4-heptyl-1-cyclohexanecarbonitrile IUPAC Name: 1-(5-butylpyrimidin-2-yl)-4-heptylcyclohexane-1-carbonitrile Traditional Name: 1-(5-butylpyrimidin-2-yl)-4-heptyl-cyclohexanecarbonitrile Formula: C22H35N3 MolecularWeight: 341.5334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)(C#N)C2=NC=C(C=N2)CCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)(C#N)C2=NC=C(C=N2)CCCC

InChI

InChI=1S/C22H35N3/c1-3-5-7-8-9-11-19-12-14-22(18-23,15-13-19)21-24-16-20(17-25-21)10-6-4-2/h16-17,19H,3-15H2,1-2H3