3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluoranyl-3-nitro-phenyl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluoranyl-3-nitro-phenyl)-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluoro-3-nitro-phenyl)-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluoro-3-nitrophenyl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluoro-3-nitrophenyl)-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-fluoro-3-nitro-phenyl)-1-methyl-pyrazole-4-carboxamide Formula: C20H17FN4O5 MolecularWeight: 412.371183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O5/c1-24-11-14(20(26)22-13-4-5-15(21)16(10-13)25(27)28)19(23-24)12-3-6-17-18(9-12)30-8-2-7-29-17/h3-6,9-11H,2,7-8H2,1H3,(H,22,26)