3-[4-bromanyl-2-(propylaminomethyl)phenoxy]azepan-2-one

Systemtic Name: 3-[4-bromanyl-2-(propylaminomethyl)phenoxy]azepan-2-one Openeye Name: 3-[4-bromo-2-(propylaminomethyl)phenoxy]azepan-2-one CAS Name: 3-[4-bromo-2-(propylaminomethyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-bromo-2-(propylaminomethyl)phenoxy]azepan-2-one Traditional Name: 3-[4-bromo-2-(propylaminomethyl)phenoxy]azepan-2-one Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=C(C=CC(=C1)Br)OC2CCCCNC2=O

Isomeric SMILES

CCCNCC1=C(C=CC(=C1)Br)OC2CCCCNC2=O

InChI

InChI=1S/C16H23BrN2O2/c1-2-8-18-11-12-10-13(17)6-7-14(12)21-15-5-3-4-9-19-16(15)20/h6-7,10,15,18H,2-5,8-9,11H2,1H3,(H,19,20)