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

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C3=NN(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C16H14BrN5O3/c17-11-8-18-22(9-11)10-21-4-3-13(20-21)16(23)19-12-1-2-14-15(7-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H,19,23)