3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-isocyanato-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propanal

Systemtic Name: 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-isocyanato-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propanal Openeye Name: 3-(3,5-dibromo-4-hydroxy-phenyl)-2-isocyanato-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]propanal CAS Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-isocyanato-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]propanal IUPAC Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-isocyanato-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanal Traditional Name: 3-(3,5-dibromo-4-hydroxy-phenyl)-2-isocyanato-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]propionaldehyde Formula: C22H20Br2N4O4 MolecularWeight: 564.2266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(CC4=CC(=C(C(=C4)Br)O)Br)(C=O)N=C=O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(CC4=CC(=C(C(=C4)Br)O)Br)(C=O)N=C=O

InChI

InChI=1S/C22H20Br2N4O4/c23-16-9-14(10-17(24)20(16)31)11-22(12-29,25-13-30)27-7-5-15(6-8-27)28-19-4-2-1-3-18(19)26-21(28)32/h1-4,9-10,12,15,31H,5-8,11H2,(H,26,32)