2-(4-bromanyl-2-chloranyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2-chlorophenoxy)-1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]ethanone Formula: C21H20BrClN2O5 MolecularWeight: 495.7509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Br)Cl)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)Br)Cl)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H20BrClN2O5/c22-14-5-6-16(15(23)11-14)29-13-20(26)24-7-9-25(10-8-24)21(27)19-12-28-17-3-1-2-4-18(17)30-19/h1-6,11,19H,7-10,12-13H2