N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[(2R)-2-(1-azepanyl)-2-(4-methoxyphenyl)ethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-bromophenoxy)acetamide Formula: C23H29BrN2O3 MolecularWeight: 461.39196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=C(C=C2)Br)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=C(C=C2)Br)N3CCCCCC3

InChI

InChI=1S/C23H29BrN2O3/c1-28-20-10-6-18(7-11-20)22(26-14-4-2-3-5-15-26)16-25-23(27)17-29-21-12-8-19(24)9-13-21/h6-13,22H,2-5,14-17H2,1H3,(H,25,27)/t22-/m0/s1