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

Systemtic Name: (2S)-N-(4-dimethylaminophenyl)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: (2S)-N-(4-dimethylaminophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: (2S)-N-(4-dimethylaminophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: (2S)-N-(4-dimethylaminophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: (2S)-N-(4-dimethylaminophenyl)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butyramide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c1-13(2)18(19(26)21-14-9-11-15(12-10-14)24(3)4)25-20(27)16-7-5-6-8-17(16)22-23-25/h5-13,18H,1-4H3,(H,21,26)/t18-/m0/s1