4-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,6-dione

Systemtic Name: 4-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,6-dione Openeye Name: 4-benzyl-1,4,7,10-tetrazacyclododecane-2,6-dione CAS Name: 4-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,6-dione IUPAC Name: 4-benzyl-1,4,7,10-tetrazacyclododecane-2,6-dione Traditional Name: 4-benzyl-1,4,7,10-tetrazacyclododecane-2,6-quinone Formula: C15H22N4O2 MolecularWeight: 290.36078

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)CN(CC(=O)NCCN1)CC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)CN(CC(=O)NCCN1)CC2=CC=CC=C2

InChI

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