4-[(pyridin-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione

Systemtic Name: 4-[(pyridin-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Openeye Name: 4-[(2-pyridylamino)methylene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione CAS Name: 4-[(2-pyridinylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione IUPAC Name: 4-[(pyridin-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Traditional Name: 4-[(2-pyridylamino)methylene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-quinone Formula: C22H14F3N3O2 MolecularWeight: 409.36067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=CC=CC=N3)C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=CC=CC=N3)C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H14F3N3O2/c23-22(24,25)17-9-3-4-10-18(17)28-20(29)15-8-2-1-7-14(15)16(21(28)30)13-27-19-11-5-6-12-26-19/h1-13H,(H,26,27)