N-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethyl]-4-pyridin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethyl]-4-pyridin-2-yl-piperazine-1-carboxamide Openeye Name: N-[2-(3,5-dibromo-4-hydroxy-phenyl)ethyl]-4-(2-pyridyl)piperazine-1-carboxamide CAS Name: N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-4-(2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-(3,5-dibromo-4-hydroxy-phenyl)ethyl]-4-(2-pyridyl)piperazine-1-carboxamide Formula: C18H20Br2N4O2 MolecularWeight: 484.185

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)NCCC3=CC(=C(C(=C3)Br)O)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)NCCC3=CC(=C(C(=C3)Br)O)Br

InChI

InChI=1S/C18H20Br2N4O2/c19-14-11-13(12-15(20)17(14)25)4-6-22-18(26)24-9-7-23(8-10-24)16-3-1-2-5-21-16/h1-3,5,11-12,25H,4,6-10H2,(H,22,26)