1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[3-(5-methyl-1-pyrazolyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide Formula: C18H19FN6O4 MolecularWeight: 402.379663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCCNC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=NN1CCCNC(=O)C2=NN(C=C2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19FN6O4/c1-13-5-8-21-24(13)9-2-7-20-18(26)15-6-10-23(22-15)12-29-17-11-14(19)3-4-16(17)25(27)28/h3-6,8,10-11H,2,7,9,12H2,1H3,(H,20,26)