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

Systemtic Name: 1-[4-(3-bromanyl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]-6-piperidin-1-ylcarbonyl-1,2,4-triazinane-3,5-dione Openeye Name: 1-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-phenyl]-6-(piperidine-1-carbonyl)-1,2,4-triazinane-3,5-dione CAS Name: 1-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylphenyl]-6-[oxo(1-piperidinyl)methyl]-1,2,4-triazinane-3,5-dione IUPAC Name: 1-[4-(3-bromo-4-hydroxyphenoxy)-3,5-dimethylphenyl]-6-(piperidine-1-carbonyl)-1,2,4-triazinane-3,5-dione Traditional Name: 1-[4-(3-bromo-4-hydroxy-phenoxy)-3,5-dimethyl-phenyl]-6-(piperidine-1-carbonyl)-1,2,4-triazinane-3,5-quinone Formula: C23H25BrN4O5 MolecularWeight: 517.3724

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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)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)Br)C)N3C(C(=O)NC(=O)N3)C(=O)N4CCCCC4

InChI

InChI=1S/C23H25BrN4O5/c1-13-10-15(11-14(2)20(13)33-16-6-7-18(29)17(24)12-16)28-19(21(30)25-23(32)26-28)22(31)27-8-4-3-5-9-27/h6-7,10-12,19,29H,3-5,8-9H2,1-2H3,(H2,25,26,30,32)