N'-(1,3-benzodioxol-5-ylcarbonyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-(1,3-benzodioxol-5-ylcarbonyl)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-(1,3-benzodioxole-5-carbonyl)-3-isobutyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[1,3-benzodioxol-5-yl(oxo)methyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-(1,3-benzodioxole-5-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide Traditional Name: 3-isobutyl-4-keto-N'-piperonyloyl-phthalazine-1-carbohydrazide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O5/c1-12(2)10-25-21(28)15-6-4-3-5-14(15)18(24-25)20(27)23-22-19(26)13-7-8-16-17(9-13)30-11-29-16/h3-9,12H,10-11H2,1-2H3,(H,22,26)(H,23,27)