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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H35N3/c1-2-3-4-5-6-7-21-8-10-22(11-9-21)12-13-24-19-28-26(29-20-24)25-16-14-23(18-27)15-17-25/h14-17,19-22H,2-13H2,1H3