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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(4-piperonylpiperazino)acetamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C21H24BrN3O3/c1-15-2-4-18(17(22)10-15)23-21(26)13-25-8-6-24(7-9-25)12-16-3-5-19-20(11-16)28-14-27-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,26)