N'-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide

Systemtic Name: N'-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-4-oxidanylidene-3-pentyl-phthalazine-1-carbohydrazide Openeye Name: N'-(3-nitro-4-pyrrolidin-1-yl-benzoyl)-4-oxo-3-pentyl-phthalazine-1-carbohydrazide CAS Name: N'-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-4-oxo-3-pentyl-1-phthalazinecarbohydrazide IUPAC Name: N'-(3-nitro-4-pyrrolidin-1-ylbenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide Traditional Name: 3-amyl-4-keto-N'-(3-nitro-4-pyrrolidino-benzoyl)phthalazine-1-carbohydrazide Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O5/c1-2-3-6-15-30-25(34)19-10-5-4-9-18(19)22(28-30)24(33)27-26-23(32)17-11-12-20(21(16-17)31(35)36)29-13-7-8-14-29/h4-5,9-12,16H,2-3,6-8,13-15H2,1H3,(H,26,32)(H,27,33)