N-(1,3-benzodioxol-5-ylmethyl)-4-bromanyl-1-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromanyl-1-ethyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-1-ethyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-1-ethyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-1-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-1-ethyl-N-piperonyl-pyrazole-3-carboxamide Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C14H14BrN3O3/c1-2-18-7-10(15)13(17-18)14(19)16-6-9-3-4-11-12(5-9)21-8-20-11/h3-5,7H,2,6,8H2,1H3,(H,16,19)