(3E)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-1-ethanoyl-piperazine-2,5-dione

Systemtic Name: (3E)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-1-ethanoyl-piperazine-2,5-dione Openeye Name: (3E)-1-acetyl-3-[(5-tert-butyl-1H-imidazol-4-yl)methylene]piperazine-2,5-dione CAS Name: (3E)-1-acetyl-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione IUPAC Name: (3E)-1-acetyl-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione Traditional Name: (3E)-1-acetyl-3-[(5-tert-butyl-1H-imidazol-4-yl)methylene]piperazine-2,5-quinone Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=O)NC(=CC2=C(NC=N2)C(C)(C)C)C1=O

Isomeric SMILES

CC(=O)N1CC(=O)N/C(=C/C2=C(NC=N2)C(C)(C)C)/C1=O

InChI

InChI=1S/C14H18N4O3/c1-8(19)18-6-11(20)17-10(13(18)21)5-9-12(14(2,3)4)16-7-15-9/h5,7H,6H2,1-4H3,(H,15,16)(H,17,20)/b10-5+