3-(2-oxidanylidene-4-phenyl-1,5-diazonan-1-yl)propanenitrile

Systemtic Name: 3-(2-oxidanylidene-4-phenyl-1,5-diazonan-1-yl)propanenitrile Openeye Name: 3-(2-oxo-4-phenyl-1,5-diazonan-1-yl)propanenitrile CAS Name: 3-(2-oxo-4-phenyl-1,5-diazonan-1-yl)propanenitrile IUPAC Name: 3-(2-oxo-4-phenyl-1,5-diazonan-1-yl)propanenitrile Traditional Name: 3-(2-keto-4-phenyl-1,5-diazonan-1-yl)propionitrile Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)CC(NC1)C2=CC=CC=C2)CCC#N

Isomeric SMILES

C1CCN(C(=O)CC(NC1)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C16H21N3O/c17-9-6-12-19-11-5-4-10-18-15(13-16(19)20)14-7-2-1-3-8-14/h1-3,7-8,15,18H,4-6,10-13H2