2-azanyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-4-[(2-oxidanylidenepiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-amino-4-[(2-oxopiperazin-1-yl)methyl]benzonitrile CAS Name: 2-amino-4-[(2-oxo-1-piperazinyl)methyl]benzonitrile IUPAC Name: 2-amino-4-[(2-oxopiperazin-1-yl)methyl]benzonitrile Traditional Name: 2-amino-4-[(2-ketopiperazino)methyl]benzonitrile Formula: C12H14N4O MolecularWeight: 230.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1)CC2=CC(=C(C=C2)C#N)N

Isomeric SMILES

C1CN(C(=O)CN1)CC2=CC(=C(C=C2)C#N)N

InChI

InChI=1S/C12H14N4O/c13-6-10-2-1-9(5-11(10)14)8-16-4-3-15-7-12(16)17/h1-2,5,15H,3-4,7-8,14H2