2-(2-bromanyl-4-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H19BrN4O2 MolecularWeight: 391.26236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)Br

InChI

InChI=1S/C17H19BrN4O2/c1-13-3-4-15(14(18)11-13)24-12-16(23)21-7-9-22(10-8-21)17-19-5-2-6-20-17/h2-6,11H,7-10,12H2,1H3