N-[2-[4-(4-bromanylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-bromanylbutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-bromobutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(4-bromo-1-oxobutyl)-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-bromobutanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-bromobutanoyl)piperazino]ethyl]-piperonylamide Formula: C18H24BrN3O4 MolecularWeight: 426.30486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)CCCBr

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)CCCBr

InChI

InChI=1S/C18H24BrN3O4/c19-5-1-2-17(23)22-10-8-21(9-11-22)7-6-20-18(24)14-3-4-15-16(12-14)26-13-25-15/h3-4,12H,1-2,5-11,13H2,(H,20,24)