3-(2-methylpropyl)-4-oxidanylidene-N'-[2-(2-oxidanylideneazepan-1-yl)ethanoyl]phthalazine-1-carbohydrazide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N'-[2-(2-oxidanylideneazepan-1-yl)ethanoyl]phthalazine-1-carbohydrazide Openeye Name: 3-isobutyl-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]phthalazine-1-carbohydrazide CAS Name: 3-(2-methylpropyl)-4-oxo-N'-[1-oxo-2-(2-oxo-1-azepanyl)ethyl]-1-phthalazinecarbohydrazide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]phthalazine-1-carbohydrazide Traditional Name: 3-isobutyl-4-keto-N'-[2-(2-ketoazepan-1-yl)acetyl]phthalazine-1-carbohydrazide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CN3CCCCCC3=O

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C21H27N5O4/c1-14(2)12-26-21(30)16-9-6-5-8-15(16)19(24-26)20(29)23-22-17(27)13-25-11-7-3-4-10-18(25)28/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3,(H,22,27)(H,23,29)