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

Systemtic Name: 2-[(3-bromophenyl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-[(3-bromophenyl)methylene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-one CAS Name: 2-[(3-bromophenyl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperazinyl)methyl]-3-benzofuranone IUPAC Name: 2-[(3-bromophenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one Traditional Name: 2-(3-bromobenzylidene)-6-hydroxy-7-[(4-methylpiperazino)methyl]coumaran-3-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3/c1-23-7-9-24(10-8-23)13-17-18(25)6-5-16-20(26)19(27-21(16)17)12-14-3-2-4-15(22)11-14/h2-6,11-12,25H,7-10,13H2,1H3