3-[[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]methyl]-6-bromanyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]methyl]-6-bromanyl-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(benzofuran-2-carbonyl)piperazin-1-yl]methyl]-6-bromo-1,3-benzoxazol-2-one CAS Name: 3-[[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]methyl]-6-bromo-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]methyl]-6-bromo-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(benzofuran-2-carbonyl)piperazino]methyl]-6-bromo-1,3-benzoxazol-2-one Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)Br)OC2=O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)Br)OC2=O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H18BrN3O4/c22-15-5-6-16-18(12-15)29-21(27)25(16)13-23-7-9-24(10-8-23)20(26)19-11-14-3-1-2-4-17(14)28-19/h1-6,11-12H,7-10,13H2