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

Systemtic Name: 4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]benzonitrile Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H23N3O/c1-2-3-4-5-14-27-22-12-10-20(11-13-22)23-25-16-21(17-26-23)19-8-6-18(15-24)7-9-19/h6-13,16-17H,2-5,14H2,1H3