4-nitro-3-(1-propan-2-ylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 4-nitro-3-(1-propan-2-ylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 3-(1-isopropylpyrazol-4-yl)-4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 4-nitro-3-(1-propan-2-yl-4-pyrazolyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 4-nitro-3-(1-propan-2-ylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 3-(1-isopropylpyrazol-4-yl)-4-nitro-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N4O3/c1-13(2)27-12-16(11-26-27)18-9-15(6-7-19(18)28(30)31)20(29)25-10-14-4-3-5-17(8-14)21(22,23)24/h3-9,11-13H,10H2,1-2H3,(H,25,29)