3-[2-(1H-indol-3-ylmethyl)-5-oxidanylidene-1,3,4-oxadiazin-4-yl]propanenitrile

Systemtic Name: 3-[2-(1H-indol-3-ylmethyl)-5-oxidanylidene-1,3,4-oxadiazin-4-yl]propanenitrile Openeye Name: 3-[2-(1H-indol-3-ylmethyl)-5-oxo-1,3,4-oxadiazin-4-yl]propanenitrile CAS Name: 3-[2-(1H-indol-3-ylmethyl)-5-oxo-1,3,4-oxadiazin-4-yl]propanenitrile IUPAC Name: 3-[2-(1H-indol-3-ylmethyl)-5-oxo-1,3,4-oxadiazin-4-yl]propanenitrile Traditional Name: 3-[2-(1H-indol-3-ylmethyl)-5-keto-1,3,4-oxadiazin-4-yl]propionitrile Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(N=C(O1)CC2=CNC3=CC=CC=C32)CCC#N

Isomeric SMILES

C1C(=O)N(N=C(O1)CC2=CNC3=CC=CC=C32)CCC#N

InChI

InChI=1S/C15H14N4O2/c16-6-3-7-19-15(20)10-21-14(18-19)8-11-9-17-13-5-2-1-4-12(11)13/h1-2,4-5,9,17H,3,7-8,10H2