2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-bromophenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-bromophenyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-bromophenyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(4-bromophenyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(4-bromophenyl)propanamide Traditional Name: N-(4-bromophenyl)-2-(4-piperonylpiperazino)propionamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

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