2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25ClN4O2/c1-14(2)16-12-17(21)15(3)11-18(16)27-13-19(26)24-7-9-25(10-8-24)20-22-5-4-6-23-20/h4-6,11-12,14H,7-10,13H2,1-3H3