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

Systemtic Name: 3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazole-4-carboxamide Formula: C21H23FN5O+ MolecularWeight: 380.438623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H22FN5O/c1-25-11-13-26(14-12-25)24-21(28)19-15-27(18-5-3-2-4-6-18)23-20(19)16-7-9-17(22)10-8-16/h2-10,15H,11-14H2,1H3,(H,24,28)/p+1