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

Systemtic Name: 4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-(4-pentoxyphenyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(4-pentoxyphenyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(4-amoxyphenyl)pyrimidin-5-yl]benzonitrile Formula: C22H21N3O MolecularWeight: 343.42164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O/c1-2-3-4-13-26-21-11-9-19(10-12-21)22-24-15-20(16-25-22)18-7-5-17(14-23)6-8-18/h5-12,15-16H,2-4,13H2,1H3