2-[2,4-bis(iodanyl)phenoxy]-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-[2,4-bis(iodanyl)phenoxy]-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(2,4-diiodophenoxy)butan-1-one CAS Name: 2-(2,4-diiodophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(2,4-diiodophenoxy)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(2,4-diiodophenoxy)butan-1-one Formula: C21H24I2N2O2 MolecularWeight: 590.2364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)I)I

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=C(C=C(C=C3)I)I

InChI

InChI=1S/C21H24I2N2O2/c1-2-19(27-20-9-8-17(22)14-18(20)23)21(26)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14,19H,2,10-13,15H2,1H3