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

Systemtic Name: 4-[2-(4-butylphenyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-butylphenyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-(4-butylphenyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(4-butylphenyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(4-butylphenyl)pyrimidin-5-yl]benzonitrile Formula: C21H19N3 MolecularWeight: 313.39566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3/c1-2-3-4-16-5-11-19(12-6-16)21-23-14-20(15-24-21)18-9-7-17(13-22)8-10-18/h5-12,14-15H,2-4H2,1H3