4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-pentyl-2-pyrimidinyl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-pentylpyrimidin-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-amylpyrimidin-2-yl)phenyl]benzonitrile Formula: C22H21N3 MolecularWeight: 327.42224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3/c1-2-3-4-5-18-15-24-22(25-16-18)21-12-10-20(11-13-21)19-8-6-17(14-23)7-9-19/h6-13,15-16H,2-5H2,1H3