3-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Systemtic Name: 3-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone Openeye Name: 3-benzyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone CAS Name: 3-(phenylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone IUPAC Name: 3-benzyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone Traditional Name: 3-benzyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-diquinone Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CC2=CC=CC=C2

Isomeric SMILES

C1C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CC2=CC=CC=C2

InChI

InChI=1S/C15H18N4O4/c20-12-7-16-13(21)8-18-15(23)11(19-14(22)9-17-12)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,21)(H,17,20)(H,18,23)(H,19,22)