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

Systemtic Name: 4-[4-(5-heptylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile Openeye Name: 4-[4-(5-heptylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile CAS Name: 4-[4-(5-heptyl-2-pyrimidinyl)phenoxy]-2-methylbutanenitrile IUPAC Name: 4-[4-(5-heptylpyrimidin-2-yl)phenoxy]-2-methylbutanenitrile Traditional Name: 4-[4-(5-heptylpyrimidin-2-yl)phenoxy]-2-methyl-butyronitrile Formula: C22H29N3O MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

InChI

InChI=1S/C22H29N3O/c1-3-4-5-6-7-8-19-16-24-22(25-17-19)20-9-11-21(12-10-20)26-14-13-18(2)15-23/h9-12,16-18H,3-8,13-14H2,1-2H3