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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

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