(3Z,6S)-3-[(4-bromophenyl)methylidene]-1-methyl-6-(2-methylpropyl)piperazine-2,5-dione

Systemtic Name: (3Z,6S)-3-[(4-bromophenyl)methylidene]-1-methyl-6-(2-methylpropyl)piperazine-2,5-dione Openeye Name: (3Z,6S)-3-[(4-bromophenyl)methylene]-6-isobutyl-1-methyl-piperazine-2,5-dione CAS Name: (3Z,6S)-3-[(4-bromophenyl)methylidene]-1-methyl-6-(2-methylpropyl)piperazine-2,5-dione IUPAC Name: (3Z,6S)-3-[(4-bromophenyl)methylidene]-1-methyl-6-(2-methylpropyl)piperazine-2,5-dione Traditional Name: (3Z,6S)-3-(4-bromobenzylidene)-6-isobutyl-1-methyl-piperazine-2,5-quinone Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)N1C

Isomeric SMILES

CC(C)C[C@H]1C(=O)N/C(=C\C2=CC=C(C=C2)Br)/C(=O)N1C

InChI

InChI=1S/C16H19BrN2O2/c1-10(2)8-14-15(20)18-13(16(21)19(14)3)9-11-4-6-12(17)7-5-11/h4-7,9-10,14H,8H2,1-3H3,(H,18,20)/b13-9-/t14-/m0/s1