4-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxamide

Systemtic Name: 4-[3-(3-bromanylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxamide Openeye Name: 4-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperazine-1-carboxamide CAS Name: 4-[3-(3-bromophenoxy)-2-hydroxypropyl]-1-piperazinecarboxamide IUPAC Name: 4-[3-(3-bromophenoxy)-2-hydroxypropyl]piperazine-1-carboxamide Traditional Name: 4-[3-(3-bromophenoxy)-2-hydroxy-propyl]piperazine-1-carboxamide Formula: C14H20BrN3O3 MolecularWeight: 358.2309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC(=CC=C2)Br)O)C(=O)N

Isomeric SMILES

C1CN(CCN1CC(COC2=CC(=CC=C2)Br)O)C(=O)N

InChI

InChI=1S/C14H20BrN3O3/c15-11-2-1-3-13(8-11)21-10-12(19)9-17-4-6-18(7-5-17)14(16)20/h1-3,8,12,19H,4-7,9-10H2,(H2,16,20)