4-fluoranyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide

Systemtic Name: 4-fluoranyl-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Openeye Name: 4-fluoro-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide CAS Name: 4-fluoro-N-[3-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]benzamide IUPAC Name: 4-fluoro-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Traditional Name: 4-fluoro-N-[3-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide Formula: C22H23FN5O+ MolecularWeight: 392.449323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5O/c1-27-11-13-28(14-12-27)21-10-9-20(25-26-21)17-3-2-4-19(15-17)24-22(29)16-5-7-18(23)8-6-16/h2-10,15H,11-14H2,1H3,(H,24,29)/p+1