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

Systemtic Name: 3-[4-bromanyl-2-(ethylaminomethyl)phenoxy]azepan-2-one Openeye Name: 3-[4-bromo-2-(ethylaminomethyl)phenoxy]azepan-2-one CAS Name: 3-[4-bromo-2-(ethylaminomethyl)phenoxy]-2-azepanone IUPAC Name: 3-[4-bromo-2-(ethylaminomethyl)phenoxy]azepan-2-one Traditional Name: 3-[4-bromo-2-(ethylaminomethyl)phenoxy]azepan-2-one Formula: C15H21BrN2O2 MolecularWeight: 341.24344

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Br)OC2CCCCNC2=O

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Br)OC2CCCCNC2=O

InChI

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