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

Systemtic Name: 4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-(4-heptoxyphenyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(4-heptoxyphenyl)pyrimidin-5-yl]benzonitrile Formula: C24H25N3O MolecularWeight: 371.4748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H25N3O/c1-2-3-4-5-6-15-28-23-13-11-21(12-14-23)24-26-17-22(18-27-24)20-9-7-19(16-25)8-10-20/h7-14,17-18H,2-6,15H2,1H3