3-[2-cyanoethyl-(4-phenyl-6-tridecyl-1,3,5-triazin-2-yl)amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-(4-phenyl-6-tridecyl-1,3,5-triazin-2-yl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-(4-phenyl-6-tridecyl-1,3,5-triazin-2-yl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-(4-phenyl-6-tridecyl-1,3,5-triazin-2-yl)amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-(4-phenyl-6-tridecyl-1,3,5-triazin-2-yl)amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(4-phenyl-6-tridecyl-s-triazin-2-yl)amino]propionitrile Formula: C28H40N6 MolecularWeight: 460.6574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NC(=NC(=N1)C2=CC=CC=C2)N(CCC#N)CCC#N

Isomeric SMILES

CCCCCCCCCCCCCC1=NC(=NC(=N1)C2=CC=CC=C2)N(CCC#N)CCC#N

InChI

InChI=1S/C28H40N6/c1-2-3-4-5-6-7-8-9-10-11-15-20-26-31-27(25-18-13-12-14-19-25)33-28(32-26)34(23-16-21-29)24-17-22-30/h12-14,18-19H,2-11,15-17,20,23-24H2,1H3