N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-bromanyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-bromanyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-bromo-benzamide CAS Name: N-[2-(1-azepanyl)-2-(4-methoxyphenyl)ethyl]-2-bromobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-bromobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-bromo-benzamide Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2Br)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2Br)N3CCCCCC3

InChI

InChI=1S/C22H27BrN2O2/c1-27-18-12-10-17(11-13-18)21(25-14-6-2-3-7-15-25)16-24-22(26)19-8-4-5-9-20(19)23/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,24,26)