2-(4-bromanylphenoxy)-1-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-(4-veratroylpiperazino)ethanone Formula: C21H23BrN2O5 MolecularWeight: 463.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O5/c1-27-18-8-3-15(13-19(18)28-2)21(26)24-11-9-23(10-12-24)20(25)14-29-17-6-4-16(22)5-7-17/h3-8,13H,9-12,14H2,1-2H3