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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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