5-(3-chlorophenyl)-7-oxidanylidene-1,4-diazepane-6-carbonitrile

Systemtic Name: 5-(3-chlorophenyl)-7-oxidanylidene-1,4-diazepane-6-carbonitrile Openeye Name: 5-(3-chlorophenyl)-7-oxo-1,4-diazepane-6-carbonitrile CAS Name: 5-(3-chlorophenyl)-7-oxo-1,4-diazepane-6-carbonitrile IUPAC Name: 5-(3-chlorophenyl)-7-oxo-1,4-diazepane-6-carbonitrile Traditional Name: 5-(3-chlorophenyl)-7-keto-1,4-diazepane-6-carbonitrile Formula: C12H12ClN3O MolecularWeight: 249.69618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O/c13-9-3-1-2-8(6-9)11-10(7-14)12(17)16-5-4-15-11/h1-3,6,10-11,15H,4-5H2,(H,16,17)