4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-octylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-octylcyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C25H33N3 MolecularWeight: 375.54962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H33N3/c1-2-3-4-5-6-7-8-20-9-13-22(14-10-20)24-18-27-25(28-19-24)23-15-11-21(17-26)12-16-23/h11-12,15-16,18-20,22H,2-10,13-14H2,1H3