3-[[2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-6-(phenylmethyl)phenyl]methyl]-1-methyl-piperazine-2,5-dione

Systemtic Name: 3-[[2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-6-(phenylmethyl)phenyl]methyl]-1-methyl-piperazine-2,5-dione Openeye Name: 3-[(2-benzyl-6-bromo-3-hydroxy-4-methoxy-5-methyl-phenyl)methyl]-1-methyl-piperazine-2,5-dione CAS Name: 3-[[2-bromo-5-hydroxy-4-methoxy-3-methyl-6-(phenylmethyl)phenyl]methyl]-1-methylpiperazine-2,5-dione IUPAC Name: 3-[(2-benzyl-6-bromo-3-hydroxy-4-methoxy-5-methylphenyl)methyl]-1-methylpiperazine-2,5-dione Traditional Name: 3-(2-benzyl-6-bromo-3-hydroxy-4-methoxy-5-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(=C(C(=C1OC)O)CC2=CC=CC=C2)CC3C(=O)N(CC(=O)N3)C)Br

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)O)CC2=CC=CC=C2)CC3C(=O)N(CC(=O)N3)C)Br

InChI

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