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

Systemtic Name: 4-[4-(5-butoxypyrimidin-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-butoxypyrimidin-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-butoxy-2-pyrimidinyl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-butoxypyrimidin-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-butoxypyrimidin-2-yl)phenyl]benzonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O/c1-2-3-12-25-20-14-23-21(24-15-20)19-10-8-18(9-11-19)17-6-4-16(13-22)5-7-17/h4-11,14-15H,2-3,12H2,1H3