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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

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