N'-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonyl-3-ethyl-4-oxidanylidene-phthalazine-1-carbohydrazide

Systemtic Name: N'-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonyl-3-ethyl-4-oxidanylidene-phthalazine-1-carbohydrazide Openeye Name: N'-[4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoyl]-3-ethyl-4-oxo-phthalazine-1-carbohydrazide CAS Name: N'-[[4-(3,5-dimethyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-3-ethyl-4-oxo-1-phthalazinecarbohydrazide IUPAC Name: N'-[4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide Traditional Name: N'-[4-(3,5-dimethylpiperidino)-3-nitro-benzoyl]-3-ethyl-4-keto-phthalazine-1-carbohydrazide Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=C(C=C3)N4CC(CC(C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=C(C=C3)N4CC(CC(C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O5/c1-4-30-25(34)19-8-6-5-7-18(19)22(28-30)24(33)27-26-23(32)17-9-10-20(21(12-17)31(35)36)29-13-15(2)11-16(3)14-29/h5-10,12,15-16H,4,11,13-14H2,1-3H3,(H,26,32)(H,27,33)