1-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]-3-(2-iodanylphenyl)propan-1-one

Systemtic Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]-3-(2-iodanylphenyl)propan-1-one Openeye Name: 1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-3-(2-iodophenyl)propan-1-one CAS Name: 1-[4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-1-piperazinyl]-3-(2-iodophenyl)-1-propanone IUPAC Name: 1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-3-(2-iodophenyl)propan-1-one Traditional Name: 1-(4-homoveratroylpiperazino)-3-(2-iodophenyl)propan-1-one Formula: C23H27IN2O4 MolecularWeight: 522.37595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)CCC3=CC=CC=C3I)OC

InChI

InChI=1S/C23H27IN2O4/c1-29-20-9-7-17(15-21(20)30-2)16-23(28)26-13-11-25(12-14-26)22(27)10-8-18-5-3-4-6-19(18)24/h3-7,9,15H,8,10-14,16H2,1-2H3