1-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,9-dione

Systemtic Name: 1-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,9-dione Openeye Name: 1-benzyl-1,4,7,10-tetrazacyclododecane-2,9-dione CAS Name: 1-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,9-dione IUPAC Name: 1-benzyl-1,4,7,10-tetrazacyclododecane-2,9-dione Traditional Name: 1-benzyl-1,4,7,10-tetrazacyclododecane-2,9-quinone Formula: C15H22N4O2 MolecularWeight: 290.36078

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(=O)N(CCNC(=O)CN1)CC2=CC=CC=C2

Isomeric SMILES

C1CNCC(=O)N(CCNC(=O)CN1)CC2=CC=CC=C2

InChI

InChI=1S/C15H22N4O2/c20-14-10-16-6-7-17-11-15(21)19(9-8-18-14)12-13-4-2-1-3-5-13/h1-5,16-17H,6-12H2,(H,18,20)