4-(3-oxidanylidenepiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(3-oxopiperazine-1-carbonyl)benzonitrile CAS Name: 4-[oxo-(3-oxo-1-piperazinyl)methyl]benzonitrile IUPAC Name: 4-(3-oxopiperazine-1-carbonyl)benzonitrile Traditional Name: 4-(3-ketopiperazine-1-carbonyl)benzonitrile Formula: C12H11N3O2 MolecularWeight: 229.23464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H11N3O2/c13-7-9-1-3-10(4-2-9)12(17)15-6-5-14-11(16)8-15/h1-4H,5-6,8H2,(H,14,16)