N'-[2-(methylamino)-5-nitro-phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-[2-(methylamino)-5-nitro-phenyl]carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-[2-(methylamino)-5-nitro-benzoyl]-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-[2-(methylamino)-5-nitrobenzoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-[2-(methylamino)-5-nitro-benzoyl]phthalazine-1-carbohydrazide Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NC

InChI

InChI=1S/C22H24N6O5/c1-3-4-7-12-27-22(31)16-9-6-5-8-15(16)19(26-27)21(30)25-24-20(29)17-13-14(28(32)33)10-11-18(17)23-2/h5-6,8-11,13,23H,3-4,7,12H2,1-2H3,(H,24,29)(H,25,30)