1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)-3-(m-tolyl)pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(4-methylpiperazin-4-ium-1-yl)pyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)-3-(m-tolyl)pyrazole-4-carboxamide Formula: C22H25FN5O+ MolecularWeight: 394.465203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NN3CC[NH+](CC3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NN3CC[NH+](CC3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN5O/c1-16-4-3-5-17(14-16)21-20(22(29)25-27-12-10-26(2)11-13-27)15-28(24-21)19-8-6-18(23)7-9-19/h3-9,14-15H,10-13H2,1-2H3,(H,25,29)/p+1