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

Systemtic Name: 1-[(5-fluoranyl-2-nitro-phenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide Openeye Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[1-(m-tolylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide CAS Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]-4-pyrazolyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(5-fluoro-2-nitrophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide Traditional Name: 1-[(5-fluoro-2-nitro-phenoxy)methyl]-N-[1-(3-methylbenzyl)pyrazol-4-yl]pyrazole-3-carboxamide Formula: C22H19FN6O4 MolecularWeight: 450.422463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN6O4/c1-15-3-2-4-16(9-15)12-28-13-18(11-24-28)25-22(30)19-7-8-27(26-19)14-33-21-10-17(23)5-6-20(21)29(31)32/h2-11,13H,12,14H2,1H3,(H,25,30)