N'-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide

Systemtic Name: N'-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide Openeye Name: N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide CAS Name: N'-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolecarbohydrazide IUPAC Name: N'-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide Traditional Name: N'-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-1-(2-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbohydrazide Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)NNC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)NNC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H20FN3O4/c1-13-11-15(14(2)26(13)17-8-4-3-7-16(17)23)21(27)24-25-22(28)20-12-29-18-9-5-6-10-19(18)30-20/h3-11,20H,12H2,1-2H3,(H,24,27)(H,25,28)