4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile

Systemtic Name: 4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile Openeye Name: 4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexanecarbonitrile CAS Name: 4-[5-(4-butylcyclohexyl)-2-pyrimidinyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile Traditional Name: 4-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexanecarbonitrile Formula: C21H31N3 MolecularWeight: 325.49094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3CCC(CC3)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3CCC(CC3)C#N

InChI

InChI=1S/C21H31N3/c1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19/h14-19H,2-12H2,1H3