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

Systemtic Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)ethanenitrile Openeye Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-phenyl-hexahydropyrimidin-1-yl]-2-(2-methoxyphenyl)acetonitrile CAS Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)acetonitrile IUPAC Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(2-methoxyphenyl)acetonitrile Traditional Name: 2-[3-[cyano-(2-methoxyphenyl)methyl]-2-phenyl-hexahydropyrimidin-1-yl]-2-(2-methoxyphenyl)acetonitrile Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)N2CCCN(C2C3=CC=CC=C3)C(C#N)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1C(C#N)N2CCCN(C2C3=CC=CC=C3)C(C#N)C4=CC=CC=C4OC

InChI

InChI=1S/C28H28N4O2/c1-33-26-15-8-6-13-22(26)24(19-29)31-17-10-18-32(28(31)21-11-4-3-5-12-21)25(20-30)23-14-7-9-16-27(23)34-2/h3-9,11-16,24-25,28H,10,17-18H2,1-2H3