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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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