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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperazinyl)methyl]-3-benzofuranone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one Traditional Name: 2-(2-chloro-6-fluoro-benzylidene)-6-hydroxy-7-[(4-methylpiperazino)methyl]coumaran-3-one Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)O

InChI

InChI=1S/C21H20ClFN2O3/c1-24-7-9-25(10-8-24)12-15-18(26)6-5-13-20(27)19(28-21(13)15)11-14-16(22)3-2-4-17(14)23/h2-6,11,26H,7-10,12H2,1H3