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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Br)C3=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4Br)C3=O)O

InChI

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