(2E,4E)-5-(2-bromanyl-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one

Systemtic Name: (2E,4E)-5-(2-bromanyl-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one Openeye Name: (2E,4E)-5-(2-bromo-1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one CAS Name: (2E,4E)-5-(2-bromo-1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone IUPAC Name: (2E,4E)-5-(2-bromo-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one Traditional Name: (2E,4E)-5-(2-bromo-1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one Formula: C17H18BrNO3 MolecularWeight: 364.23372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OC(O3)Br

Isomeric SMILES

C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OC(O3)Br

InChI

InChI=1S/C17H18BrNO3/c18-17-21-14-9-8-13(12-15(14)22-17)6-2-3-7-16(20)19-10-4-1-5-11-19/h2-3,6-9,12,17H,1,4-5,10-11H2/b6-2+,7-3+