3-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Systemtic Name: 3-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone Openeye Name: 3-(p-tolylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone CAS Name: 3-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone IUPAC Name: 3-[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone Traditional Name: 3-(4-methylbenzyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-diquinone Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2C(=O)NCC(=O)NCC(=O)NCC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)CC2C(=O)NCC(=O)NCC(=O)NCC(=O)N2

InChI

InChI=1S/C16H20N4O4/c1-10-2-4-11(5-3-10)6-12-16(24)19-8-14(22)17-7-13(21)18-9-15(23)20-12/h2-5,12H,6-9H2,1H3,(H,17,22)(H,18,21)(H,19,24)(H,20,23)