2-[2-(aminomethyl)-4-bromanyl-phenoxy]-1-(azepan-1-yl)propan-1-one

Systemtic Name: 2-[2-(aminomethyl)-4-bromanyl-phenoxy]-1-(azepan-1-yl)propan-1-one Openeye Name: 2-[2-(aminomethyl)-4-bromo-phenoxy]-1-(azepan-1-yl)propan-1-one CAS Name: 2-[2-(aminomethyl)-4-bromophenoxy]-1-(1-azepanyl)-1-propanone IUPAC Name: 2-[2-(aminomethyl)-4-bromophenoxy]-1-(azepan-1-yl)propan-1-one Traditional Name: 2-[2-(aminomethyl)-4-bromo-phenoxy]-1-(azepan-1-yl)propan-1-one Formula: C16H23BrN2O2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)CN

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)Br)CN

InChI

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