2-[1,2-bis(cyanomethyl)-1,4,7-triazonan-2-yl]ethanenitrile

Systemtic Name: 2-[1,2-bis(cyanomethyl)-1,4,7-triazonan-2-yl]ethanenitrile Openeye Name: 2-[1,2-bis(cyanomethyl)-1,4,7-triazonan-2-yl]acetonitrile CAS Name: 2-[1,2-bis(cyanomethyl)-1,4,7-triazonan-2-yl]acetonitrile IUPAC Name: 2-[1,2-bis(cyanomethyl)-1,4,7-triazonan-2-yl]acetonitrile Traditional Name: 2-[1,2-bis(cyanomethyl)-1,4,7-triazonan-2-yl]acetonitrile Formula: C12H18N6 MolecularWeight: 246.31152

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(CCN1)CC#N)(CC#N)CC#N

Isomeric SMILES

C1CNCC(N(CCN1)CC#N)(CC#N)CC#N

InChI

InChI=1S/C12H18N6/c13-3-1-12(2-4-14)11-17-7-6-16-8-10-18(12)9-5-15/h16-17H,1-2,6-11H2