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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=CC=C2C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=CC=C2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3/c1-2-3-6-17-14-23-21(24-15-17)20-8-5-4-7-19(20)18-11-9-16(13-22)10-12-18/h4-5,7-12,14-15H,2-3,6H2,1H3