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

Systemtic Name: 4-[2-(4-propoxyphenyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-propoxyphenyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-(4-propoxyphenyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(4-propoxyphenyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(4-propoxyphenyl)pyrimidin-5-yl]benzonitrile Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O/c1-2-11-24-19-9-7-17(8-10-19)20-22-13-18(14-23-20)16-5-3-15(12-21)4-6-16/h3-10,13-14H,2,11H2,1H3