2-(5-chloranyl-2-methoxy-phenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-1-(4-veratrylpiperazino)ethanone Formula: C22H27ClN2O4 MolecularWeight: 418.91378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27ClN2O4/c1-27-19-7-5-18(23)13-17(19)14-22(26)25-10-8-24(9-11-25)15-16-4-6-20(28-2)21(12-16)29-3/h4-7,12-13H,8-11,14-15H2,1-3H3