2-[4,8,11-tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanenitrile

Systemtic Name: 2-[4,8,11-tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanenitrile Openeye Name: 2-[4,8,11-tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile CAS Name: 2-[4,8,11-tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile IUPAC Name: 2-[4,8,11-tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile Traditional Name: 2-[4,8,11-tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile Formula: C18H28N8 MolecularWeight: 356.46852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)CC#N)CC#N)CC#N)CC#N

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)CC#N)CC#N)CC#N)CC#N

InChI

InChI=1S/C18H28N8/c19-3-11-23-7-1-8-24(12-4-20)16-18-26(14-6-22)10-2-9-25(13-5-21)17-15-23/h1-2,7-18H2