1-(2-hexylpyrimidin-5-yl)-4-propyl-cyclohexane-1-carbonitrile

Systemtic Name: 1-(2-hexylpyrimidin-5-yl)-4-propyl-cyclohexane-1-carbonitrile Openeye Name: 1-(2-hexylpyrimidin-5-yl)-4-propyl-cyclohexanecarbonitrile CAS Name: 1-(2-hexyl-5-pyrimidinyl)-4-propyl-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-hexylpyrimidin-5-yl)-4-propylcyclohexane-1-carbonitrile Traditional Name: 1-(2-hexylpyrimidin-5-yl)-4-propyl-cyclohexanecarbonitrile Formula: C20H31N3 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=C(C=N1)C2(CCC(CC2)CCC)C#N

Isomeric SMILES

CCCCCCC1=NC=C(C=N1)C2(CCC(CC2)CCC)C#N

InChI

InChI=1S/C20H31N3/c1-3-5-6-7-9-19-22-14-18(15-23-19)20(16-21)12-10-17(8-4-2)11-13-20/h14-15,17H,3-13H2,1-2H3