4-[(tert-butylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione

Systemtic Name: 4-[(tert-butylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Openeye Name: 4-[(tert-butylamino)methylene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione CAS Name: 4-[(tert-butylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione IUPAC Name: 4-[(tert-butylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Traditional Name: 4-[(tert-butylamino)methylene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-quinone Formula: C21H19F3N2O2 MolecularWeight: 388.38297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2/c1-20(2,3)25-12-17-15-9-4-5-10-16(15)18(27)26(19(17)28)14-8-6-7-13(11-14)21(22,23)24/h4-12,25H,1-3H3