N-(4-ethanoylphenyl)-6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanamide

Systemtic Name: N-(4-ethanoylphenyl)-6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanamide Openeye Name: N-(4-acetylphenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide CAS Name: N-(4-acetylphenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide IUPAC Name: N-(4-acetylphenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide Traditional Name: N-(4-acetylphenyl)-6-(4-keto-1,2,3-benzotriazin-3-yl)hexanamide Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O3/c1-15(26)16-10-12-17(13-11-16)22-20(27)9-3-2-6-14-25-21(28)18-7-4-5-8-19(18)23-24-25/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3,(H,22,27)