1-[4-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[3-(3-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[3-(3-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperazino]-2-methyl-propan-1-one Formula: C17H25BrN2O3 MolecularWeight: 385.296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC(COC2=CC(=CC=C2)Br)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC(COC2=CC(=CC=C2)Br)O

InChI

InChI=1S/C17H25BrN2O3/c1-13(2)17(22)20-8-6-19(7-9-20)11-15(21)12-23-16-5-3-4-14(18)10-16/h3-5,10,13,15,21H,6-9,11-12H2,1-2H3