4-oxidanylidene-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3H-phthalazine-1-carbohydrazide

Systemtic Name: 4-oxidanylidene-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3H-phthalazine-1-carbohydrazide Openeye Name: 4-oxo-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3H-phthalazine-1-carbohydrazide CAS Name: 4-oxo-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]-3H-phthalazine-1-carbohydrazide IUPAC Name: 4-oxo-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3H-phthalazine-1-carbohydrazide Traditional Name: 4-keto-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3H-phthalazine-1-carbohydrazide Formula: C22H25N6O3+ MolecularWeight: 421.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3/c29-19(10-11-27-12-14-28(15-13-27)16-6-2-1-3-7-16)23-26-22(31)20-17-8-4-5-9-18(17)21(30)25-24-20/h1-9H,10-15H2,(H,23,29)(H,25,30)(H,26,31)/p+1