(2S)-N-(3-ethanoylphenyl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide

Systemtic Name: (2S)-N-(3-ethanoylphenyl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: (2S)-N-(3-acetylphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: (2S)-N-(3-acetylphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: (2S)-N-(3-acetylphenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butyramide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H20N4O3/c1-12(2)18(19(26)21-15-8-6-7-14(11-15)13(3)25)24-20(27)16-9-4-5-10-17(16)22-23-24/h4-12,18H,1-3H3,(H,21,26)/t18-/m0/s1