[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanylpyridin-3-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanylpyridin-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-3-pyridyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-bromo-3-pyridinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromopyridin-3-yl)methanone Traditional Name: (5-bromo-3-pyridyl)-(4-piperonylpiperazino)methanone Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C18H18BrN3O3/c19-15-8-14(9-20-10-15)18(23)22-5-3-21(4-6-22)11-13-1-2-16-17(7-13)25-12-24-16/h1-2,7-10H,3-6,11-12H2