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

Systemtic Name: 1-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile Openeye Name: 1-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexanecarbonitrile CAS Name: 1-[5-(4-butylcyclohexyl)-2-pyrimidinyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-[5-(4-butylcyclohexyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile Traditional Name: 1-[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)C3(CCCCC3)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=CN=C(N=C2)C3(CCCCC3)C#N

InChI

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