N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-oxido-pyridin-1-ium-2-carboxamide Formula: C22H17FN4O2 MolecularWeight: 388.394383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C22H17FN4O2/c23-18-11-9-16(10-12-18)21-17(15-26(25-21)19-6-2-1-3-7-19)14-24-22(28)20-8-4-5-13-27(20)29/h1-13,15H,14H2,(H,24,28)