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

Systemtic Name: 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(5-butyl-2-pyrimidinyl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-(5-butylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O/c1-2-3-4-19-14-24-22(25-15-19)20-9-11-21(12-10-20)26-16-18-7-5-17(13-23)6-8-18/h5-12,14-15H,2-4,16H2,1H3