4-ethyl-13-oxidanylidene-1,4,7,10-tetrazabicyclo[8.2.1]tridecane-7-carbaldehyde

Systemtic Name: 4-ethyl-13-oxidanylidene-1,4,7,10-tetrazabicyclo[8.2.1]tridecane-7-carbaldehyde Openeye Name: 4-ethyl-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecane-7-carbaldehyde CAS Name: 4-ethyl-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecane-7-carboxaldehyde IUPAC Name: 4-ethyl-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecane-7-carbaldehyde Traditional Name: 4-ethyl-13-keto-1,4,7,10-tetrazabicyclo[8.2.1]tridecane-7-carbaldehyde Formula: C12H22N4O2 MolecularWeight: 254.32868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CCN2CCN(C2=O)CC1)C=O

Isomeric SMILES

CCN1CCN(CCN2CCN(C2=O)CC1)C=O

InChI

InChI=1S/C12H22N4O2/c1-2-13-3-4-14(11-17)6-8-16-10-9-15(7-5-13)12(16)18/h11H,2-10H2,1H3