[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromanylfuran-2-yl)methanone

Systemtic Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromanylfuran-2-yl)methanone Openeye Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromo-2-furyl)methanone CAS Name: [4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-(5-bromo-2-furanyl)methanone IUPAC Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(5-bromofuran-2-yl)methanone Traditional Name: [4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-(5-bromo-2-furyl)methanone Formula: C20H17BrN4O4 MolecularWeight: 457.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(O5)Br

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(O5)Br

InChI

InChI=1S/C20H17BrN4O4/c21-18-5-4-16(29-18)20(26)25-9-7-24(8-10-25)19-6-2-14(22-23-19)13-1-3-15-17(11-13)28-12-27-15/h1-6,11H,7-10,12H2