N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanylpyrazol-1-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromanylpyrazol-1-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromopyrazol-1-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-1-pyrazolyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromopyrazol-1-yl)propanamide Traditional Name: 3-(4-bromopyrazol-1-yl)-N-piperonyl-propionamide Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=C(C=N3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCN3C=C(C=N3)Br

InChI

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