3-tert-butyl-1-(2-hydroxyethyl)-7-[3-(trifluoromethyloxy)phenyl]quinoxalin-2-one

Systemtic Name: 3-tert-butyl-1-(2-hydroxyethyl)-7-[3-(trifluoromethyloxy)phenyl]quinoxalin-2-one Openeye Name: 3-tert-butyl-1-(2-hydroxyethyl)-7-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one CAS Name: 3-tert-butyl-1-(2-hydroxyethyl)-7-[3-(trifluoromethoxy)phenyl]-2-quinoxalinone IUPAC Name: 3-tert-butyl-1-(2-hydroxyethyl)-7-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one Traditional Name: 3-tert-butyl-1-(2-hydroxyethyl)-7-[3-(trifluoromethoxy)phenyl]quinoxalin-2-one Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=C(C=C2)C3=CC(=CC=C3)OC(F)(F)F)N(C1=O)CCO

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=C(C=C2)C3=CC(=CC=C3)OC(F)(F)F)N(C1=O)CCO

InChI

InChI=1S/C21H21F3N2O3/c1-20(2,3)18-19(28)26(9-10-27)17-12-14(7-8-16(17)25-18)13-5-4-6-15(11-13)29-21(22,23)24/h4-8,11-12,27H,9-10H2,1-3H3