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

Systemtic Name: 4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-pentylphenyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-amylphenyl)pyrimidin-2-yl]benzonitrile Formula: C22H21N3 MolecularWeight: 327.42224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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