4-butyl-1-(2-heptylpyrimidin-5-yl)cyclohexane-1-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(C=N1)C2(CCC(CC2)CCCC)C#N

Isomeric SMILES

CCCCCCCC1=NC=C(C=N1)C2(CCC(CC2)CCCC)C#N

InChI

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