2-[(2-bromophenyl)methylidene]-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 2-[(2-bromophenyl)methylidene]-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-[(2-bromophenyl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzofuran-3-one CAS Name: 2-[(2-bromophenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-benzofuranone IUPAC Name: 2-[(2-bromophenyl)methylidene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-benzofuran-3-one Traditional Name: 2-(2-bromobenzylidene)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazino]methyl]coumaran-3-one Formula: C22H23BrN2O4 MolecularWeight: 459.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Br)C3=O)O

Isomeric SMILES

C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Br)C3=O)O

InChI

InChI=1S/C22H23BrN2O4/c23-18-4-2-1-3-15(18)13-20-21(28)16-5-6-19(27)17(22(16)29-20)14-25-9-7-24(8-10-25)11-12-26/h1-6,13,26-27H,7-12,14H2