5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-bromanyl-pyran-2-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-bromanyl-pyran-2-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-bromo-pyran-2-one CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-bromo-2-pyranone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-bromopyran-2-one Traditional Name: 3-bromo-5-(4-piperonylpiperazine-1-carbonyl)pyran-2-one Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=COC(=O)C(=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=COC(=O)C(=C4)Br

InChI

InChI=1S/C18H17BrN2O5/c19-14-8-13(10-24-18(14)23)17(22)21-5-3-20(4-6-21)9-12-1-2-15-16(7-12)26-11-25-15/h1-2,7-8,10H,3-6,9,11H2