2-[4-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methyl]piperazino]-N-(2-ethylphenyl)acetamide Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC4=C(C(=C3)Br)OCO4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CC3=CC4=C(C(=C3)Br)OCO4

InChI

InChI=1S/C22H26BrN3O3/c1-2-17-5-3-4-6-19(17)24-21(27)14-26-9-7-25(8-10-26)13-16-11-18(23)22-20(12-16)28-15-29-22/h3-6,11-12H,2,7-10,13-15H2,1H3,(H,24,27)