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

Systemtic Name: (2Z)-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperazinyl)methyl]-2-(phenylmethylene)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-6-hydroxy-7-[(4-methylpiperazino)methyl]coumaran-3-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4)/C3=O)O

InChI

InChI=1S/C21H22N2O3/c1-22-9-11-23(12-10-22)14-17-18(24)8-7-16-20(25)19(26-21(16)17)13-15-5-3-2-4-6-15/h2-8,13,24H,9-12,14H2,1H3/b19-13-