3-[4-(aminomethyl)-2-bromanyl-6-ethoxy-phenoxy]azepan-2-one

Systemtic Name: 3-[4-(aminomethyl)-2-bromanyl-6-ethoxy-phenoxy]azepan-2-one Openeye Name: 3-[4-(aminomethyl)-2-bromo-6-ethoxy-phenoxy]azepan-2-one CAS Name: 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-2-azepanone IUPAC Name: 3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]azepan-2-one Traditional Name: 3-[4-(aminomethyl)-2-bromo-6-ethoxy-phenoxy]azepan-2-one Formula: C15H21BrN2O3 MolecularWeight: 357.24284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CN)Br)OC2CCCCNC2=O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CN)Br)OC2CCCCNC2=O

InChI

InChI=1S/C15H21BrN2O3/c1-2-20-13-8-10(9-17)7-11(16)14(13)21-12-5-3-4-6-18-15(12)19/h7-8,12H,2-6,9,17H2,1H3,(H,18,19)