3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]azepan-2-one

Systemtic Name: 3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]azepan-2-one Openeye Name: 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]azepan-2-one CAS Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]-2-azepanone IUPAC Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]azepan-2-one Traditional Name: 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]azepan-2-one Formula: C15H21BrN2O2 MolecularWeight: 341.24344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)NC2CCCCNC2=O

Isomeric SMILES

CCC(C1=C(C=CC(=C1)Br)O)NC2CCCCNC2=O

InChI

InChI=1S/C15H21BrN2O2/c1-2-12(11-9-10(16)6-7-14(11)19)18-13-5-3-4-8-17-15(13)20/h6-7,9,12-13,18-19H,2-5,8H2,1H3,(H,17,20)