1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C21H17FN6O4 MolecularWeight: 436.395883

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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=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN6O4/c22-16-5-6-19(28(30)31)20(12-16)32-14-27-10-7-18(25-27)21(29)24-17-4-1-3-15(11-17)13-26-9-2-8-23-26/h1-12H,13-14H2,(H,24,29)