2-[3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-2-yl]ethanenitrile

Systemtic Name: 2-[3,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-2-yl]ethanenitrile Openeye Name: 2-(5-benzyl-3,6-dioxo-piperazin-2-yl)acetonitrile CAS Name: 2-[3,6-dioxo-5-(phenylmethyl)-2-piperazinyl]acetonitrile IUPAC Name: 2-(5-benzyl-3,6-dioxopiperazin-2-yl)acetonitrile Traditional Name: 2-(5-benzyl-3,6-diketo-piperazin-2-yl)acetonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC#N

InChI

InChI=1S/C13H13N3O2/c14-7-6-10-12(17)16-11(13(18)15-10)8-9-4-2-1-3-5-9/h1-5,10-11H,6,8H2,(H,15,18)(H,16,17)