4-(5-heptoxypyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-heptoxypyrimidin-2-yl)benzenecarbonitrile Openeye Name: 4-(5-heptoxypyrimidin-2-yl)benzonitrile CAS Name: 4-(5-heptoxy-2-pyrimidinyl)benzonitrile IUPAC Name: 4-(5-heptoxypyrimidin-2-yl)benzonitrile Traditional Name: 4-(5-heptoxypyrimidin-2-yl)benzonitrile Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21N3O/c1-2-3-4-5-6-11-22-17-13-20-18(21-14-17)16-9-7-15(12-19)8-10-16/h7-10,13-14H,2-6,11H2,1H3