2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2/c1-13-10-15(19)11-14(2)17(13)25-12-16(24)22-6-8-23(9-7-22)18-20-4-3-5-21-18/h3-5,10-11H,6-9,12H2,1-2H3