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

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-bromanyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-4-bromo-benzamide CAS Name: N-[2-(1-azepanyl)-2-(4-methylphenyl)ethyl]-4-bromobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-bromobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(p-tolyl)ethyl]-4-bromo-benzamide Formula: C22H27BrN2O MolecularWeight: 415.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)Br)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)Br)N3CCCCCC3

InChI

InChI=1S/C22H27BrN2O/c1-17-6-8-18(9-7-17)21(25-14-4-2-3-5-15-25)16-24-22(26)19-10-12-20(23)13-11-19/h6-13,21H,2-5,14-16H2,1H3,(H,24,26)