N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C21H16BrFN6O4 MolecularWeight: 515.291943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])CN4C=C(C=N4)Br

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-])CN4C=C(C=N4)Br

InChI

InChI=1S/C21H16BrFN6O4/c22-15-10-24-28(12-15)11-14-2-1-3-17(8-14)25-21(30)18-6-7-27(26-18)13-33-20-9-16(23)4-5-19(20)29(31)32/h1-10,12H,11,13H2,(H,25,30)