2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-azanyl-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)-1-[4-(4-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-(4-pyridin-4-yl-1-piperazinyl)-1-propanone IUPAC Name: 2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-amino-3-(3,5-dibromo-4-hydroxy-phenyl)-1-[4-(4-pyridyl)piperazino]propan-1-one Formula: C18H20Br2N4O2 MolecularWeight: 484.185

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)N

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)N

InChI

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