4-[[(3-chloranyl-2-fluoranyl-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione

Systemtic Name: 4-[[(3-chloranyl-2-fluoranyl-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[(3-chloro-2-fluoro-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(3-chloro-2-fluoroanilino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(3-chloro-2-fluoroanilino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[(3-chloro-2-fluoro-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-quinone Formula: C21H13ClFN3O2 MolecularWeight: 393.798223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=C(C(=CC=C3)Cl)F)C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=C(C(=CC=C3)Cl)F)C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H13ClFN3O2/c22-16-8-5-9-17(19(16)23)25-12-15-13-6-1-2-7-14(13)20(27)26(21(15)28)18-10-3-4-11-24-18/h1-12,25H