3-(6-oxidanylidene-3,5-diphenyl-1,2,4,5-tetrazinan-1-yl)propanenitrile

Systemtic Name: 3-(6-oxidanylidene-3,5-diphenyl-1,2,4,5-tetrazinan-1-yl)propanenitrile Openeye Name: 3-(6-oxo-3,5-diphenyl-1,2,4,5-tetrazinan-1-yl)propanenitrile CAS Name: 3-(6-oxo-3,5-diphenyl-1,2,4,5-tetrazinan-1-yl)propanenitrile IUPAC Name: 3-(6-oxo-3,5-diphenyl-1,2,4,5-tetrazinan-1-yl)propanenitrile Traditional Name: 3-(6-keto-3,5-diphenyl-1,2,4,5-tetrazinan-1-yl)propionitrile Formula: C17H17N5O MolecularWeight: 307.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O/c18-12-7-13-21-17(23)22(15-10-5-2-6-11-15)20-16(19-21)14-8-3-1-4-9-14/h1-6,8-11,16,19-20H,7,13H2