3-tert-butyl-4-phenyl-7-(trifluoromethyl)-2H-isoquinolin-1-one

Systemtic Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)-2H-isoquinolin-1-one Openeye Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)-2H-isoquinolin-1-one CAS Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)-2H-isoquinolin-1-one IUPAC Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)-2H-isoquinolin-1-one Traditional Name: 3-tert-butyl-4-phenyl-7-(trifluoromethyl)isocarbostyril Formula: C20H18F3NO MolecularWeight: 345.35823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=C(C=C(C=C2)C(F)(F)F)C(=O)N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C2=C(C=C(C=C2)C(F)(F)F)C(=O)N1)C3=CC=CC=C3

InChI

InChI=1S/C20H18F3NO/c1-19(2,3)17-16(12-7-5-4-6-8-12)14-10-9-13(20(21,22)23)11-15(14)18(25)24-17/h4-11H,1-3H3,(H,24,25)