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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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