3,5-bis[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-1-(phenylmethyl)piperidin-4-one

Systemtic Name: 3,5-bis[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-1-(phenylmethyl)piperidin-4-one Openeye Name: 1-benzyl-3,5-bis[(6-bromo-1,3-benzodioxol-5-yl)methylene]piperidin-4-one CAS Name: 3,5-bis[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(phenylmethyl)-4-piperidinone IUPAC Name: 1-benzyl-3,5-bis[(6-bromo-1,3-benzodioxol-5-yl)methylidene]piperidin-4-one Traditional Name: 1-benzyl-3,5-bis[(6-bromo-1,3-benzodioxol-5-yl)methylene]-4-piperidone Formula: C28H21Br2NO5 MolecularWeight: 611.27804

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)C(=CC4=CC5=C(C=C4Br)OCO5)CN1CC6=CC=CC=C6

Isomeric SMILES

C1C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)C(=CC4=CC5=C(C=C4Br)OCO5)CN1CC6=CC=CC=C6

InChI

InChI=1S/C28H21Br2NO5/c29-22-10-26-24(33-15-35-26)8-18(22)6-20-13-31(12-17-4-2-1-3-5-17)14-21(28(20)32)7-19-9-25-27(11-23(19)30)36-16-34-25/h1-11H,12-16H2