3-[3-(4-methoxyphenyl)-6-oxidanylidene-5-phenyl-1,2,4,5-tetrazinan-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-methoxyphenyl)-6-oxidanylidene-5-phenyl-1,2,4,5-tetrazinan-1-yl]propanenitrile Openeye Name: 3-[3-(4-methoxyphenyl)-6-oxo-5-phenyl-1,2,4,5-tetrazinan-1-yl]propanenitrile CAS Name: 3-[3-(4-methoxyphenyl)-6-oxo-5-phenyl-1,2,4,5-tetrazinan-1-yl]propanenitrile IUPAC Name: 3-[3-(4-methoxyphenyl)-6-oxo-5-phenyl-1,2,4,5-tetrazinan-1-yl]propanenitrile Traditional Name: 3-[6-keto-3-(4-methoxyphenyl)-5-phenyl-1,2,4,5-tetrazinan-1-yl]propionitrile Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2NN(C(=O)N(N2)C3=CC=CC=C3)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2NN(C(=O)N(N2)C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C18H19N5O2/c1-25-16-10-8-14(9-11-16)17-20-22(13-5-12-19)18(24)23(21-17)15-6-3-2-4-7-15/h2-4,6-11,17,20-21H,5,13H2,1H3