N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H20F3N5O4 MolecularWeight: 475.42051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)NC(=O)C)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)NC(=O)C)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20F3N5O4/c1-12-20(30(33)34)13(2)29(28-12)11-15-4-6-16(7-5-15)21(32)27-19-9-8-17(26-14(3)31)10-18(19)22(23,24)25/h4-10H,11H2,1-3H3,(H,26,31)(H,27,32)