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

Systemtic Name: 7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-oxidanyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Openeye Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(3-pyridylmethylene)benzofuran-3-one CAS Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-(3-pyridinylmethylidene)-3-benzofuranone IUPAC Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Traditional Name: 6-hydroxy-7-[[4-(2-hydroxyethyl)piperazino]methyl]-2-(3-pyridylmethylene)coumaran-3-one Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)O

Isomeric SMILES

C1CN(CCN1CCO)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)O

InChI

InChI=1S/C21H23N3O4/c25-11-10-23-6-8-24(9-7-23)14-17-18(26)4-3-16-20(27)19(28-21(16)17)12-15-2-1-5-22-13-15/h1-5,12-13,25-26H,6-11,14H2