N-[1-(2-cyanoaziridin-1-yl)-3-(1-ethanoylimidazol-4-yl)-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[1-(2-cyanoaziridin-1-yl)-3-(1-ethanoylimidazol-4-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[1-[(1-acetylimidazol-4-yl)methyl]-2-(2-cyanoaziridin-1-yl)-2-oxo-ethyl]acetamide CAS Name: N-[3-(1-acetyl-4-imidazolyl)-1-(2-cyano-1-aziridinyl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[3-(1-acetylimidazol-4-yl)-1-(2-cyanoaziridin-1-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[1-[(1-acetylimidazol-4-yl)methyl]-2-(2-cyanoethylenimin-1-yl)-2-keto-ethyl]acetamide Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CN(C=N1)C(=O)C)C(=O)N2CC2C#N

Isomeric SMILES

CC(=O)NC(CC1=CN(C=N1)C(=O)C)C(=O)N2CC2C#N

InChI

InChI=1S/C13H15N5O3/c1-8(19)16-12(13(21)18-6-11(18)4-14)3-10-5-17(7-15-10)9(2)20/h5,7,11-12H,3,6H2,1-2H3,(H,16,19)