7-imidazol-1-yl-4-propyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione hydrate

Systemtic Name: 7-imidazol-1-yl-4-propyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione hydrate Openeye Name: 7-imidazol-1-yl-4-propyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione hydrate CAS Name: 7-(1-imidazolyl)-4-propyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione hydrate IUPAC Name: 7-imidazol-1-yl-4-propyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione hydrate Traditional Name: 7-imidazol-1-yl-4-propyl-6-(trifluoromethyl)-1H-quinoxaline-2,3-quinone hydrate Formula: C15H15F3N4O3 MolecularWeight: 356.29981

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C(=C2)C(F)(F)F)N3C=CN=C3)NC(=O)C1=O.O

Isomeric SMILES

CCCN1C2=C(C=C(C(=C2)C(F)(F)F)N3C=CN=C3)NC(=O)C1=O.O

InChI

InChI=1S/C15H13F3N4O2.H2O/c1-2-4-22-12-6-9(15(16,17)18)11(21-5-3-19-8-21)7-10(12)20-13(23)14(22)24;/h3,5-8H,2,4H2,1H3,(H,20,23);1H2