4-[4-(5-hexylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile

Systemtic Name: 4-[4-(5-hexylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile Openeye Name: 4-[4-(5-hexylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile CAS Name: 4-[4-(5-hexyl-2-pyrimidinyl)phenoxy]-2-methylbutanenitrile IUPAC Name: 4-[4-(5-hexylpyrimidin-2-yl)phenoxy]-2-methylbutanenitrile Traditional Name: 4-[4-(5-hexylpyrimidin-2-yl)phenoxy]-2-methyl-butyronitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

InChI

InChI=1S/C21H27N3O/c1-3-4-5-6-7-18-15-23-21(24-16-18)19-8-10-20(11-9-19)25-13-12-17(2)14-22/h8-11,15-17H,3-7,12-13H2,1-2H3