1-methyl-3-(phenylmethyl)piperazine-2,5-dione ethanoate

Systemtic Name: 1-methyl-3-(phenylmethyl)piperazine-2,5-dione ethanoate Openeye Name: 3-benzyl-1-methyl-piperazine-2,5-dione acetate CAS Name: 1-methyl-3-(phenylmethyl)piperazine-2,5-dione acetate IUPAC Name: 3-benzyl-1-methylpiperazine-2,5-dione acetate Traditional Name: 3-benzyl-1-methyl-piperazine-2,5-quinone acetate Formula: C14H17N2O4- MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1CC(=O)NC(C1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)[O-].CN1CC(=O)NC(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2.C2H4O2/c1-14-8-11(15)13-10(12(14)16)7-9-5-3-2-4-6-9;1-2(3)4/h2-6,10H,7-8H2,1H3,(H,13,15);1H3,(H,3,4)/p-1