1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromanyl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromanyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromo-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-bromo-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromopropan-1-one Traditional Name: 3-bromo-1-(4-piperonylpiperazino)propan-1-one Formula: C15H19BrN2O3 MolecularWeight: 355.22696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCBr

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCBr

InChI

InChI=1S/C15H19BrN2O3/c16-4-3-15(19)18-7-5-17(6-8-18)10-12-1-2-13-14(9-12)21-11-20-13/h1-2,9H,3-8,10-11H2