N-(3-fluorophenyl)-2-[4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-(4-keto-3H-phthalazin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H23FN5O3+ MolecularWeight: 424.448123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H22FN5O3/c23-15-4-3-5-16(12-15)24-20(29)14-27-8-10-28(11-9-27)21(30)13-19-17-6-1-2-7-18(17)22(31)26-25-19/h1-7,12H,8-11,13-14H2,(H,24,29)(H,26,31)/p+1