4-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazole-3-carboxamide Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C13H12BrN3O3/c1-17-7-9(14)12(16-17)13(18)15-8-2-3-10-11(6-8)20-5-4-19-10/h2-3,6-7H,4-5H2,1H3,(H,15,18)