4-[4-(5-methoxypyrimidin-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-methoxypyrimidin-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-methoxypyrimidin-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-methoxy-2-pyrimidinyl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-methoxypyrimidin-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-methoxypyrimidin-2-yl)phenyl]benzonitrile Formula: C18H13N3O MolecularWeight: 287.31532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O/c1-22-17-11-20-18(21-12-17)16-8-6-15(7-9-16)14-4-2-13(10-19)3-5-14/h2-9,11-12H,1H3