1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-isopropyl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-isopropyl-pyrazole-4-carboxamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H21FN4O4/c1-13(2)20-18(11-24-25(20)16-9-5-15(22)6-10-16)21(28)23-12-19(27)14-3-7-17(8-4-14)26(29)30/h3-11,13,19,27H,12H2,1-2H3,(H,23,28)