3-[(2-bromanyl-4-methoxy-3-methyl-5-phenylmethoxy-phenyl)methyl]-1-methyl-piperazine-2,5-dione

Systemtic Name: 3-[(2-bromanyl-4-methoxy-3-methyl-5-phenylmethoxy-phenyl)methyl]-1-methyl-piperazine-2,5-dione Openeye Name: 3-[(5-benzyloxy-2-bromo-4-methoxy-3-methyl-phenyl)methyl]-1-methyl-piperazine-2,5-dione CAS Name: 3-[(2-bromo-4-methoxy-3-methyl-5-phenylmethoxyphenyl)methyl]-1-methylpiperazine-2,5-dione IUPAC Name: 3-[(2-bromo-4-methoxy-3-methyl-5-phenylmethoxyphenyl)methyl]-1-methylpiperazine-2,5-dione Traditional Name: 3-(5-benzoxy-2-bromo-4-methoxy-3-methyl-benzyl)-1-methyl-piperazine-2,5-quinone Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1OC)OCC2=CC=CC=C2)CC3C(=O)N(CC(=O)N3)C)Br

Isomeric SMILES

CC1=C(C(=CC(=C1OC)OCC2=CC=CC=C2)CC3C(=O)N(CC(=O)N3)C)Br

InChI

InChI=1S/C21H23BrN2O4/c1-13-19(22)15(9-16-21(26)24(2)11-18(25)23-16)10-17(20(13)27-3)28-12-14-7-5-4-6-8-14/h4-8,10,16H,9,11-12H2,1-3H3,(H,23,25)