N'-[2-(1H-benzimidazol-2-yl)ethanoyl]-3-butyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(1H-benzimidazol-2-yl)ethanoyl]-3-butyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(1H-benzimidazol-2-yl)acetyl]-3-butyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[2-(1H-benzimidazol-2-yl)-1-oxoethyl]-3-butyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(1H-benzimidazol-2-yl)acetyl]-3-butyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[2-(1H-benzimidazol-2-yl)acetyl]-3-butyl-4-keto-phthalazine-1-carbohydrazide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N6O3/c1-2-3-12-28-22(31)15-9-5-4-8-14(15)20(27-28)21(30)26-25-19(29)13-18-23-16-10-6-7-11-17(16)24-18/h4-11H,2-3,12-13H2,1H3,(H,23,24)(H,25,29)(H,26,30)