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

Systemtic Name: 2-[3-[cyano(phenyl)methyl]-2-(4-dimethylaminophenyl)-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[3-[cyano(phenyl)methyl]-2-(4-dimethylaminophenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[3-[cyano(phenyl)methyl]-2-(4-dimethylaminophenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-(4-dimethylaminophenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile Traditional Name: 2-[3-[cyano(phenyl)methyl]-2-(4-dimethylaminophenyl)hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile Formula: C28H29N5 MolecularWeight: 435.56336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5/c1-31(2)25-16-14-24(15-17-25)28-32(26(20-29)22-10-5-3-6-11-22)18-9-19-33(28)27(21-30)23-12-7-4-8-13-23/h3-8,10-17,26-28H,9,18-19H2,1-2H3