N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[4-bromo-1-(4-fluorobenzyl)pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H16BrFN6O4 MolecularWeight: 515.291943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=NN(C=C3Br)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=NN(C=C3Br)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16BrFN6O4/c22-16-12-28(11-14-5-7-15(23)8-6-14)26-20(16)24-21(30)17-9-10-27(25-17)13-33-19-4-2-1-3-18(19)29(31)32/h1-10,12H,11,13H2,(H,24,26,30)