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

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C23H25FN5O3+ MolecularWeight: 438.474703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C23H24FN5O3/c1-27-23(32)19-8-3-2-7-18(19)20(26-27)14-22(31)29-11-9-28(10-12-29)15-21(30)25-17-6-4-5-16(24)13-17/h2-8,13H,9-12,14-15H2,1H3,(H,25,30)/p+1