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

Systemtic Name: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)ethanenitrile Openeye Name: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-hexahydropyrimidin-1-yl]-2-(4-methoxyphenyl)acetonitrile CAS Name: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile IUPAC Name: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile Traditional Name: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-hexahydropyrimidin-1-yl]-2-(4-methoxyphenyl)acetonitrile Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)N2CCCN(C2C3=CC=CC=C3)C(C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C#N)N2CCCN(C2C3=CC=CC=C3)C(C#N)C4=CC=C(C=C4)OC

InChI

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