4-hexyl-1-(2-pentylpyrimidin-5-yl)cyclohexane-1-carbonitrile

Systemtic Name: 4-hexyl-1-(2-pentylpyrimidin-5-yl)cyclohexane-1-carbonitrile Openeye Name: 4-hexyl-1-(2-pentylpyrimidin-5-yl)cyclohexanecarbonitrile CAS Name: 4-hexyl-1-(2-pentyl-5-pyrimidinyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-hexyl-1-(2-pentylpyrimidin-5-yl)cyclohexane-1-carbonitrile Traditional Name: 1-(2-amylpyrimidin-5-yl)-4-hexyl-cyclohexanecarbonitrile Formula: C22H35N3 MolecularWeight: 341.5334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)(C#N)C2=CN=C(N=C2)CCCCC

Isomeric SMILES

CCCCCCC1CCC(CC1)(C#N)C2=CN=C(N=C2)CCCCC

InChI

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