1-[3,5-bis(iodanyl)-4-[4-methoxy-2-(3-piperazin-1-ylpropyl)phenoxy]phenyl]ethanone

Systemtic Name: 1-[3,5-bis(iodanyl)-4-[4-methoxy-2-(3-piperazin-1-ylpropyl)phenoxy]phenyl]ethanone Openeye Name: 1-[3,5-diiodo-4-[4-methoxy-2-(3-piperazin-1-ylpropyl)phenoxy]phenyl]ethanone CAS Name: 1-[3,5-diiodo-4-[4-methoxy-2-[3-(1-piperazinyl)propyl]phenoxy]phenyl]ethanone IUPAC Name: 1-[3,5-diiodo-4-[4-methoxy-2-(3-piperazin-1-ylpropyl)phenoxy]phenyl]ethanone Traditional Name: 1-[3,5-diiodo-4-[4-methoxy-2-(3-piperazinopropyl)phenoxy]phenyl]ethanone Formula: C22H26I2N2O3 MolecularWeight: 620.26238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)I)OC2=C(C=C(C=C2)OC)CCCN3CCNCC3)I

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)I)OC2=C(C=C(C=C2)OC)CCCN3CCNCC3)I

InChI

InChI=1S/C22H26I2N2O3/c1-15(27)17-13-19(23)22(20(24)14-17)29-21-6-5-18(28-2)12-16(21)4-3-9-26-10-7-25-8-11-26/h5-6,12-14,25H,3-4,7-11H2,1-2H3