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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromanyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromo-4-nitro-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-bromo-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromo-4-nitrophenyl)acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-(4-piperonylpiperazino)acetamide Formula: C20H21BrN4O5 MolecularWeight: 477.30854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H21BrN4O5/c21-16-10-15(25(27)28)2-3-17(16)22-20(26)12-24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)30-13-29-18/h1-4,9-10H,5-8,11-13H2,(H,22,26)