3-[1-(2-ethoxypyrimidin-4-yl)-2,2-dipyridin-3-yl-ethyl]benzenecarbonitrile

Systemtic Name: 3-[1-(2-ethoxypyrimidin-4-yl)-2,2-dipyridin-3-yl-ethyl]benzenecarbonitrile Openeye Name: 3-[1-(2-ethoxypyrimidin-4-yl)-2,2-bis(3-pyridyl)ethyl]benzonitrile CAS Name: 3-[1-(2-ethoxy-4-pyrimidinyl)-2,2-bis(3-pyridinyl)ethyl]benzonitrile IUPAC Name: 3-[1-(2-ethoxypyrimidin-4-yl)-2,2-dipyridin-3-ylethyl]benzonitrile Traditional Name: 3-[1-(2-ethoxypyrimidin-4-yl)-2,2-bis(3-pyridyl)ethyl]benzonitrile Formula: C25H21N5O MolecularWeight: 407.46714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=CC(=N1)C(C2=CC=CC(=C2)C#N)C(C3=CN=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CCOC1=NC=CC(=N1)C(C2=CC=CC(=C2)C#N)C(C3=CN=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H21N5O/c1-2-31-25-29-13-10-22(30-25)24(19-7-3-6-18(14-19)15-26)23(20-8-4-11-27-16-20)21-9-5-12-28-17-21/h3-14,16-17,23-24H,2H2,1H3