3-fluoranyl-N-[2-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-fluoro-N-[2-[4-[2-(4-fluoroanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-fluoro-N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 3-fluoro-N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-fluoro-N-[2-[4-[2-(4-fluoroanilino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C21H23F2N4O3+ MolecularWeight: 417.429126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22F2N4O3/c22-16-4-6-18(7-5-16)25-19(28)14-26-8-10-27(11-9-26)20(29)13-24-21(30)15-2-1-3-17(23)12-15/h1-7,12H,8-11,13-14H2,(H,24,30)(H,25,28)/p+1