N-(4-fluorophenyl)-2-[4-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-benzyl-4-oxo-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(3-benzyl-4-oxophthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-(3-benzyl-4-keto-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C28H27FN5O3+ MolecularWeight: 500.544083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H26FN5O3/c29-21-10-12-22(13-11-21)30-25(35)19-32-14-16-33(17-15-32)28(37)26-23-8-4-5-9-24(23)27(36)34(31-26)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,30,35)/p+1