1-(4-fluorophenyl)-4-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-4-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-4-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-6-oxo-pyridazine-3-carboxamide CAS Name: 1-(4-fluorophenyl)-4-methoxy-N-(4-methyl-1-piperazin-4-iumyl)-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(4-fluorophenyl)-4-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-6-keto-4-methoxy-N-(4-methylpiperazin-4-ium-1-yl)pyridazine-3-carboxamide Formula: C17H21FN5O3+ MolecularWeight: 362.378743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=NN(C(=O)C=C2OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN5O3/c1-21-7-9-22(10-8-21)20-17(25)16-14(26-2)11-15(24)23(19-16)13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,20,25)/p+1