1-[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]-6-morpholin-4-ylcarbonyl-1,2,4-triazinane-3,5-dione

Systemtic Name: 1-[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]-6-morpholin-4-ylcarbonyl-1,2,4-triazinane-3,5-dione Openeye Name: 1-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-phenyl]-6-(morpholine-4-carbonyl)-1,2,4-triazinane-3,5-dione CAS Name: 1-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylphenyl]-6-[4-morpholinyl(oxo)methyl]-1,2,4-triazinane-3,5-dione IUPAC Name: 1-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylphenyl]-6-(morpholine-4-carbonyl)-1,2,4-triazinane-3,5-dione Traditional Name: 1-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-phenyl]-6-(morpholine-4-carbonyl)-1,2,4-triazinane-3,5-quinone Formula: C22H23BrN4O6 MolecularWeight: 519.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C)N3C(C(=O)NC(=O)N3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C)N3C(C(=O)NC(=O)N3)C(=O)N4CCOCC4

InChI

InChI=1S/C22H23BrN4O6/c1-12-9-14(10-13(2)19(12)33-15-3-4-17(28)16(23)11-15)27-18(20(29)24-22(31)25-27)21(30)26-5-7-32-8-6-26/h3-4,9-11,18,28H,5-8H2,1-2H3,(H2,24,25,29,31)