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

Systemtic Name: (2S)-N-(4-acetamidophenyl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: (2S)-N-(4-acetamidophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: (2S)-N-(4-acetamidophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: (2S)-N-(4-acetamidophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: (2S)-N-(4-acetamidophenyl)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butyramide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-12(2)18(25-20(28)16-6-4-5-7-17(16)23-24-25)19(27)22-15-10-8-14(9-11-15)21-13(3)26/h4-12,18H,1-3H3,(H,21,26)(H,22,27)/t18-/m0/s1