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

Systemtic Name: 4-[[(3-chloranyl-4-fluoranyl-phenyl)amino]methylidene]-2-pyridin-2-yl-isoquinoline-1,3-dione Openeye Name: 4-[(3-chloro-4-fluoro-anilino)methylene]-2-(2-pyridyl)isoquinoline-1,3-dione CAS Name: 4-[(3-chloro-4-fluoroanilino)methylidene]-2-(2-pyridinyl)isoquinoline-1,3-dione IUPAC Name: 4-[(3-chloro-4-fluoroanilino)methylidene]-2-pyridin-2-ylisoquinoline-1,3-dione Traditional Name: 4-[(3-chloro-4-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=CC(=C(C=C3)F)Cl)C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

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

InChI

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