(3E)-3-[[(4-imidazol-1-ylphenyl)amino]-oxidanyl-methylidene]-2-methyl-4a,8a-dihydro-1H-isoquinolin-4-one

Systemtic Name: (3E)-3-[[(4-imidazol-1-ylphenyl)amino]-oxidanyl-methylidene]-2-methyl-4a,8a-dihydro-1H-isoquinolin-4-one Openeye Name: (3E)-3-[hydroxy-(4-imidazol-1-ylanilino)methylene]-2-methyl-4a,8a-dihydro-1H-isoquinolin-4-one CAS Name: (3E)-3-[hydroxy-[4-(1-imidazolyl)anilino]methylidene]-2-methyl-4a,8a-dihydro-1H-isoquinolin-4-one IUPAC Name: (3E)-3-[hydroxy-(4-imidazol-1-ylanilino)methylidene]-2-methyl-4a,8a-dihydro-1H-isoquinolin-4-one Traditional Name: (3E)-3-[hydroxy-(4-imidazol-1-ylanilino)methylene]-2-methyl-4a,8a-dihydro-1H-isoquinolin-4-one Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2C=CC=CC2C(=O)C1=C(NC3=CC=C(C=C3)N4C=CN=C4)O

Isomeric SMILES

CN\1CC2C=CC=CC2C(=O)/C1=C(/NC3=CC=C(C=C3)N4C=CN=C4)\O

InChI

InChI=1S/C20H20N4O2/c1-23-12-14-4-2-3-5-17(14)19(25)18(23)20(26)22-15-6-8-16(9-7-15)24-11-10-21-13-24/h2-11,13-14,17,22,26H,12H2,1H3/b20-18+