4-[2-(4-methoxyphenyl)pyrimidin-5-yl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

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