N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C27H21FN6O4 MolecularWeight: 512.491843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=NN(C=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H21FN6O4/c28-21-11-12-24(34(36)37)25(15-21)38-18-32-14-13-23(30-32)27(35)29-16-20-17-33(22-9-5-2-6-10-22)31-26(20)19-7-3-1-4-8-19/h1-15,17H,16,18H2,(H,29,35)