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

Systemtic Name: 4-butyl-1-(5-pentylpyrimidin-2-yl)cyclohexane-1-carbonitrile Openeye Name: 4-butyl-1-(5-pentylpyrimidin-2-yl)cyclohexanecarbonitrile CAS Name: 4-butyl-1-(5-pentyl-2-pyrimidinyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-butyl-1-(5-pentylpyrimidin-2-yl)cyclohexane-1-carbonitrile Traditional Name: 1-(5-amylpyrimidin-2-yl)-4-butyl-cyclohexanecarbonitrile Formula: C20H31N3 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2(CCC(CC2)CCCC)C#N

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2(CCC(CC2)CCCC)C#N

InChI

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