2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile Traditional Name: 2-[3-[cyano(phenyl)methyl]-2-(2-methoxyphenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile Formula: C27H26N4O MolecularWeight: 422.52154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O/c1-32-26-16-9-8-15-23(26)27-30(24(19-28)21-11-4-2-5-12-21)17-10-18-31(27)25(20-29)22-13-6-3-7-14-22/h2-9,11-16,24-25,27H,10,17-18H2,1H3