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

Systemtic Name: 2-methyl-4-[4-(5-pentylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-methyl-4-[4-(5-pentylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-methyl-4-[4-(5-pentyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-methyl-4-[4-(5-pentylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 4-[4-(5-amylpyrimidin-2-yl)phenoxy]-2-methyl-butyronitrile Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

InChI

InChI=1S/C20H25N3O/c1-3-4-5-6-17-14-22-20(23-15-17)18-7-9-19(10-8-18)24-12-11-16(2)13-21/h7-10,14-16H,3-6,11-12H2,1-2H3