N-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-oxidanyl-benzamide

Systemtic Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-oxidanyl-benzamide Openeye Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-hydroxy-benzamide CAS Name: N-[(E)-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-hydroxybenzamide IUPAC Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-hydroxybenzamide Traditional Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-hydroxy-benzamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=C(C=C3)O)CCC2)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=C(C=C3)O)/CCC2)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H25N3O4/c1-16-23-21(27-28-25(31)18-9-11-20(30)12-10-18)7-4-8-22(23)33-24(16)26(32)29-14-13-17-5-2-3-6-19(17)15-29/h2-3,5-6,9-12,30H,4,7-8,13-15H2,1H3,(H,28,31)/b27-21+