2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C19H22BrN3O2 MolecularWeight: 404.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=NC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=NC=C3)Br

InChI

InChI=1S/C19H22BrN3O2/c1-15-2-3-18(17(20)12-15)25-14-19(24)23-10-8-22(9-11-23)13-16-4-6-21-7-5-16/h2-7,12H,8-11,13-14H2,1H3