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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=C(C=N1)C2(CCC(CC2)CCCC)C#N

Isomeric SMILES

CCCCCC1=NC=C(C=N1)C2(CCC(CC2)CCCC)C#N

InChI

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