2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-bromo-2-chloro-6-methyl-phenoxy)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H18BrClN4O2 MolecularWeight: 425.70742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)Br

InChI

InChI=1S/C17H18BrClN4O2/c1-12-9-13(18)10-14(19)16(12)25-11-15(24)22-5-7-23(8-6-22)17-20-3-2-4-21-17/h2-4,9-10H,5-8,11H2,1H3