N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(coumaran-5-ylmethyl)piperazino]acetamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)Br

InChI

InChI=1S/C22H26BrN3O2/c1-16-2-4-20(19(23)12-16)24-22(27)15-26-9-7-25(8-10-26)14-17-3-5-21-18(13-17)6-11-28-21/h2-5,12-13H,6-11,14-15H2,1H3,(H,24,27)