N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide Openeye Name: 5-isopropyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-(2-pyridyl)pyrazole-4-carboxamide CAS Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide Traditional Name: 5-isopropyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-1-(2-pyridyl)pyrazole-4-carboxamide Formula: C21H21F3N6O3 MolecularWeight: 462.42505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N6O3/c1-13(2)19-15(12-28-29(19)18-5-3-4-8-26-18)20(31)27-10-9-25-16-7-6-14(21(22,23)24)11-17(16)30(32)33/h3-8,11-13,25H,9-10H2,1-2H3,(H,27,31)