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

Systemtic Name: N-(2-bromophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide CAS Name: N-(2-bromophenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide Formula: C21H25BrN2O2 MolecularWeight: 417.3394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H25BrN2O2/c1-26-17-12-10-16(11-13-17)20-9-3-2-6-14-24(20)15-21(25)23-19-8-5-4-7-18(19)22/h4-5,7-8,10-13,20H,2-3,6,9,14-15H2,1H3,(H,23,25)/t20-/m1/s1