3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H23FN5O2+ MolecularWeight: 396.438023

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5O2/c1-23-20(28)19-17-4-2-3-5-18(17)21(29)27(24-19)14-25-10-12-26(13-11-25)16-8-6-15(22)7-9-16/h2-9H,10-14H2,1H3,(H,23,28)/p+1