N'-(2H-benzotriazol-5-ylcarbonyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(2H-benzotriazol-5-ylcarbonyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(2H-benzotriazole-5-carbonyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[2H-benzotriazol-5-yl(oxo)methyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(2H-benzotriazole-5-carbonyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-N'-(2H-benzotriazole-5-carbonyl)-4-keto-phthalazine-1-carbohydrazide Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=NNN=C4C=C3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=NNN=C4C=C3

InChI

InChI=1S/C21H21N7O3/c1-2-3-6-11-28-21(31)15-8-5-4-7-14(15)18(26-28)20(30)25-24-19(29)13-9-10-16-17(12-13)23-27-22-16/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,24,29)(H,25,30)(H,22,23,27)