5-oxidanylidene-7-phenyl-1,4-diazepane-6-carbonitrile

Systemtic Name: 5-oxidanylidene-7-phenyl-1,4-diazepane-6-carbonitrile Openeye Name: 5-oxo-7-phenyl-1,4-diazepane-6-carbonitrile CAS Name: 5-oxo-7-phenyl-1,4-diazepane-6-carbonitrile IUPAC Name: 5-oxo-7-phenyl-1,4-diazepane-6-carbonitrile Traditional Name: 5-keto-7-phenyl-1,4-diazepane-6-carbonitrile Formula: C12H13N3O MolecularWeight: 215.25112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

C1CNC(=O)C(C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C12H13N3O/c13-8-10-11(9-4-2-1-3-5-9)14-6-7-15-12(10)16/h1-5,10-11,14H,6-7H2,(H,15,16)