N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanylpyrazol-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-piperonyl-benzamide Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C19H16BrN3O3/c20-16-9-22-23(11-16)10-13-1-4-15(5-2-13)19(24)21-8-14-3-6-17-18(7-14)26-12-25-17/h1-7,9,11H,8,10,12H2,(H,21,24)