2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile Traditional Name: 2-[3-[cyano(phenyl)methyl]-2-(4-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=C(C=C1)C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2N(CCCN2C(C#N)C3=CC=CC=C3)C(C#N)C4=CC=CC=C4

InChI

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