(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperazinyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[(4-methylpiperazino)methyl]coumaran-3-one Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Br)C3=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC(=CC5=C4OCOC5)Br)/C3=O)O

InChI

InChI=1S/C23H23BrN2O5/c1-25-4-6-26(7-5-25)11-18-19(27)3-2-17-21(28)20(31-23(17)18)10-14-8-16(24)9-15-12-29-13-30-22(14)15/h2-3,8-10,27H,4-7,11-13H2,1H3/b20-10-