3-[2-(aminomethyl)-3-fluoranyl-phenoxy]azepan-2-one

Systemtic Name: 3-[2-(aminomethyl)-3-fluoranyl-phenoxy]azepan-2-one Openeye Name: 3-[2-(aminomethyl)-3-fluoro-phenoxy]azepan-2-one CAS Name: 3-[2-(aminomethyl)-3-fluorophenoxy]-2-azepanone IUPAC Name: 3-[2-(aminomethyl)-3-fluorophenoxy]azepan-2-one Traditional Name: 3-[2-(aminomethyl)-3-fluoro-phenoxy]azepan-2-one Formula: C13H17FN2O2 MolecularWeight: 252.284683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C(=CC=C2)F)CN

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C(=CC=C2)F)CN

InChI

InChI=1S/C13H17FN2O2/c14-10-4-3-6-11(9(10)8-15)18-12-5-1-2-7-16-13(12)17/h3-4,6,12H,1-2,5,7-8,15H2,(H,16,17)