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

Systemtic Name: 4-[5-(4-octoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-octoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-octoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-octoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-octoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H33N3O/c1-2-3-4-5-6-7-16-29-24-14-12-21(13-15-24)23-18-27-25(28-19-23)22-10-8-20(17-26)9-11-22/h8-11,18-19,21,24H,2-7,12-16H2,1H3