N-[2-(4-bromanylpyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(4-bromanylpyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4-bromopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-bromo-1-pyrazolyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-bromopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4-bromopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NCCN3C=C(C=N3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NCCN3C=C(C=N3)Br

InChI

InChI=1S/C14H14BrN3O3/c15-11-8-17-18(9-11)4-3-16-14(19)10-1-2-12-13(7-10)21-6-5-20-12/h1-2,7-9H,3-6H2,(H,16,19)