2-[1-(cyanomethyl)-1,4,7,10-tetrazacyclododec-2-yl]ethanenitrile

Systemtic Name: 2-[1-(cyanomethyl)-1,4,7,10-tetrazacyclododec-2-yl]ethanenitrile Openeye Name: 2-[1-(cyanomethyl)-1,4,7,10-tetrazacyclododec-2-yl]acetonitrile CAS Name: 2-[1-(cyanomethyl)-1,4,7,10-tetrazacyclododec-2-yl]acetonitrile IUPAC Name: 2-[1-(cyanomethyl)-1,4,7,10-tetrazacyclododec-2-yl]acetonitrile Traditional Name: 2-[1-(cyanomethyl)-1,4,7,10-tetrazacyclododec-2-yl]acetonitrile Formula: C12H22N6 MolecularWeight: 250.34328

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C(CNCCN1)CC#N)CC#N

Isomeric SMILES

C1CNCCN(C(CNCCN1)CC#N)CC#N

InChI

InChI=1S/C12H22N6/c13-2-1-12-11-17-7-6-15-4-5-16-8-10-18(12)9-3-14/h12,15-17H,1,4-11H2