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

Systemtic Name: 4-[4-(2-heptylpyrimidin-5-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(2-heptylpyrimidin-5-yl)phenyl]benzonitrile CAS Name: 4-[4-(2-heptyl-5-pyrimidinyl)phenyl]benzonitrile IUPAC Name: 4-[4-(2-heptylpyrimidin-5-yl)phenyl]benzonitrile Traditional Name: 4-[4-(2-heptylpyrimidin-5-yl)phenyl]benzonitrile Formula: C24H25N3 MolecularWeight: 355.4754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H25N3/c1-2-3-4-5-6-7-24-26-17-23(18-27-24)22-14-12-21(13-15-22)20-10-8-19(16-25)9-11-20/h8-15,17-18H,2-7H2,1H3