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

Systemtic Name: 7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Openeye Name: 6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-(3-pyridylmethylene)benzofuran-3-one CAS Name: 6-hydroxy-7-[(4-methyl-1-piperazinyl)methyl]-2-(3-pyridinylmethylidene)-3-benzofuranone IUPAC Name: 6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Traditional Name: 6-hydroxy-7-[(4-methylpiperazino)methyl]-2-(3-pyridylmethylene)coumaran-3-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-22-7-9-23(10-8-22)13-16-17(24)5-4-15-19(25)18(26-20(15)16)11-14-3-2-6-21-12-14/h2-6,11-12,24H,7-10,13H2,1H3