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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-chloro-3-methylphenoxy)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]ethanone Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)Cl

InChI

InChI=1S/C21H26ClN5O3/c1-16-12-17(2-3-18(16)22)30-14-21(28)27-6-4-25(5-7-27)19-13-20(24-15-23-19)26-8-10-29-11-9-26/h2-3,12-13,15H,4-11,14H2,1H3