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

Systemtic Name: 4-[2-(4-hexylphenyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-hexylphenyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-(4-hexylphenyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(4-hexylphenyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(4-hexylphenyl)pyrimidin-5-yl]benzonitrile Formula: C23H23N3 MolecularWeight: 341.44882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H23N3/c1-2-3-4-5-6-18-7-13-21(14-8-18)23-25-16-22(17-26-23)20-11-9-19(15-24)10-12-20/h7-14,16-17H,2-6H2,1H3