N-(4-butylphenyl)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide CAS Name: N-(4-butylphenyl)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide Traditional Name: N-(4-butylphenyl)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H23N5O3/c1-2-3-6-15-9-11-16(12-10-15)23-19(27)13-22-20(28)14-26-21(29)17-7-4-5-8-18(17)24-25-26/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,22,28)(H,23,27)