4-[2-(4-butylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile

Systemtic Name: 4-[2-(4-butylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile Openeye Name: 4-[2-(4-butylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile CAS Name: 4-[2-(4-butyl-2-pyrimidinyl)phenoxy]-2-ethylbutanenitrile IUPAC Name: 4-[2-(4-butylpyrimidin-2-yl)phenoxy]-2-ethylbutanenitrile Traditional Name: 4-[2-(4-butylpyrimidin-2-yl)phenoxy]-2-ethyl-butyronitrile Formula: C20H25N3O MolecularWeight: 323.432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C20H25N3O/c1-3-5-8-17-11-13-22-20(23-17)18-9-6-7-10-19(18)24-14-12-16(4-2)15-21/h6-7,9-11,13,16H,3-5,8,12,14H2,1-2H3