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

Systemtic Name: 2-[3-[cyano(phenyl)methyl]-2-hexyl-1,3-diazinan-1-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[3-[cyano(phenyl)methyl]-2-hexyl-hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile CAS Name: 2-[3-[cyano(phenyl)methyl]-2-hexyl-1,3-diazinan-1-yl]-2-phenylacetonitrile IUPAC Name: 2-[3-[cyano(phenyl)methyl]-2-hexyl-1,3-diazinan-1-yl]-2-phenylacetonitrile Traditional Name: 2-[3-[cyano(phenyl)methyl]-2-hexyl-hexahydropyrimidin-1-yl]-2-phenyl-acetonitrile Formula: C26H32N4 MolecularWeight: 400.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1N(CCCN1C(C#N)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1N(CCCN1C(C#N)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H32N4/c1-2-3-4-11-17-26-29(24(20-27)22-13-7-5-8-14-22)18-12-19-30(26)25(21-28)23-15-9-6-10-16-23/h5-10,13-16,24-26H,2-4,11-12,17-19H2,1H3