4-heptyl-1-(2-propylpyrimidin-5-yl)cyclohexane-1-carbonitrile

Systemtic Name: 4-heptyl-1-(2-propylpyrimidin-5-yl)cyclohexane-1-carbonitrile Openeye Name: 4-heptyl-1-(2-propylpyrimidin-5-yl)cyclohexanecarbonitrile CAS Name: 4-heptyl-1-(2-propyl-5-pyrimidinyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-heptyl-1-(2-propylpyrimidin-5-yl)cyclohexane-1-carbonitrile Traditional Name: 4-heptyl-1-(2-propylpyrimidin-5-yl)cyclohexanecarbonitrile Formula: C21H33N3 MolecularWeight: 327.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)(C#N)C2=CN=C(N=C2)CCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)(C#N)C2=CN=C(N=C2)CCC

InChI

InChI=1S/C21H33N3/c1-3-5-6-7-8-10-18-11-13-21(17-22,14-12-18)19-15-23-20(9-4-2)24-16-19/h15-16,18H,3-14H2,1-2H3