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

Systemtic Name: 3-[4-(aminomethyl)-2-bromanyl-6-methoxy-phenoxy]azepan-2-one Openeye Name: 3-[4-(aminomethyl)-2-bromo-6-methoxy-phenoxy]azepan-2-one CAS Name: 3-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-2-azepanone IUPAC Name: 3-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]azepan-2-one Traditional Name: 3-[4-(aminomethyl)-2-bromo-6-methoxy-phenoxy]azepan-2-one Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN)Br)OC2CCCCNC2=O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN)Br)OC2CCCCNC2=O

InChI

InChI=1S/C14H19BrN2O3/c1-19-12-7-9(8-16)6-10(15)13(12)20-11-4-2-3-5-17-14(11)18/h6-7,11H,2-5,8,16H2,1H3,(H,17,18)