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

Systemtic Name: 2-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 2-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-4-yl]benzonitrile CAS Name: 2-[5-[2-(4-heptylcyclohexyl)ethyl]-4-pyrimidinyl]benzonitrile IUPAC Name: 2-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-4-yl]benzonitrile Traditional Name: 2-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-4-yl]benzonitrile Formula: C26H35N3 MolecularWeight: 389.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=CN=CN=C2C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=CN=CN=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C26H35N3/c1-2-3-4-5-6-9-21-12-14-22(15-13-21)16-17-24-19-28-20-29-26(24)25-11-8-7-10-23(25)18-27/h7-8,10-11,19-22H,2-6,9,12-17H2,1H3