2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]ethanone Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

InChI

InChI=1S/C22H28ClN5O3/c1-16-11-18(12-17(2)22(16)23)31-14-21(29)28-5-3-26(4-6-28)19-13-20(25-15-24-19)27-7-9-30-10-8-27/h11-13,15H,3-10,14H2,1-2H3