N-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carboxamide Formula: C20H19BrFN3O4 MolecularWeight: 464.284963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C20H19BrFN3O4/c21-13-5-6-15(14(22)11-13)23-20(27)25-9-7-24(8-10-25)19(26)18-12-28-16-3-1-2-4-17(16)29-18/h1-6,11,18H,7-10,12H2,(H,23,27)