4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(5-heptyl-2-pyrimidinyl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H27N3O/c1-2-3-4-5-6-7-22-17-27-25(28-18-22)23-12-14-24(15-13-23)29-19-21-10-8-20(16-26)9-11-21/h8-15,17-18H,2-7,19H2,1H3