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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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