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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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