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

Systemtic Name: (2Z)-2-[(4-methylphenyl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-(p-tolylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-7-[(4-methyl-1-piperazinyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(4-methylbenzylidene)-7-[(4-methylpiperazino)methyl]coumaran-3-one Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)C

InChI

InChI=1S/C22H24N2O3/c1-15-3-5-16(6-4-15)13-20-21(26)17-7-8-19(25)18(22(17)27-20)14-24-11-9-23(2)10-12-24/h3-8,13,25H,9-12,14H2,1-2H3/b20-13-