2-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 2-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-4-yl]benzonitrile CAS Name: 2-[5-[2-(4-nonylcyclohexyl)ethyl]-4-pyrimidinyl]benzonitrile IUPAC Name: 2-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-4-yl]benzonitrile Traditional Name: 2-[5-[2-(4-nonylcyclohexyl)ethyl]pyrimidin-4-yl]benzonitrile Formula: C28H39N3 MolecularWeight: 417.62936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)CCC2=CN=CN=C2C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)CCC2=CN=CN=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C28H39N3/c1-2-3-4-5-6-7-8-11-23-14-16-24(17-15-23)18-19-26-21-30-22-31-28(26)27-13-10-9-12-25(27)20-29/h9-10,12-13,21-24H,2-8,11,14-19H2,1H3