3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-bromo-2-pyridyl)piperazino]propan-1-one Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20BrN3O3/c20-15-3-5-18(21-12-15)22-7-9-23(10-8-22)19(24)6-2-14-1-4-16-17(11-14)26-13-25-16/h1,3-5,11-12H,2,6-10,13H2