2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-one CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperazinyl)methyl]-3-benzofuranone IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one Traditional Name: 2-(5-bromo-2-methoxy-benzylidene)-6-hydroxy-7-[(4-methylpiperazino)methyl]coumaran-3-one Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC(=C4)Br)OC)C3=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC(=C4)Br)OC)C3=O)O

InChI

InChI=1S/C22H23BrN2O4/c1-24-7-9-25(10-8-24)13-17-18(26)5-4-16-21(27)20(29-22(16)17)12-14-11-15(23)3-6-19(14)28-2/h3-6,11-12,26H,7-10,13H2,1-2H3