(4Z)-6-iodanyl-4-[[(3-oxidanyl-4-pyridin-3-yl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-6-iodanyl-4-[[(3-oxidanyl-4-pyridin-3-yl-phenyl)methylamino]methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-4-[[[3-hydroxy-4-(3-pyridyl)phenyl]methylamino]methylene]-6-iodo-isoquinoline-1,3-dione CAS Name: (4Z)-4-[[[3-hydroxy-4-(3-pyridinyl)phenyl]methylamino]methylidene]-6-iodoisoquinoline-1,3-dione IUPAC Name: (4Z)-4-[[(3-hydroxy-4-pyridin-3-ylphenyl)methylamino]methylidene]-6-iodoisoquinoline-1,3-dione Traditional Name: (4Z)-4-[[[3-hydroxy-4-(3-pyridyl)benzyl]amino]methylene]-6-iodo-isoquinoline-1,3-quinone Formula: C22H16IN3O3 MolecularWeight: 497.28521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C(C=C(C=C2)CNC=C3C4=C(C=CC(=C4)I)C(=O)NC3=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=C(C=C(C=C2)CN/C=C\3/C4=C(C=CC(=C4)I)C(=O)NC3=O)O

InChI

InChI=1S/C22H16IN3O3/c23-15-4-6-17-18(9-15)19(22(29)26-21(17)28)12-25-10-13-3-5-16(20(27)8-13)14-2-1-7-24-11-14/h1-9,11-12,25,27H,10H2,(H,26,28,29)/b19-12-