2-(4-chloranyl-3,5-dimethyl-phenoxy)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-2-methyl-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2/c1-14-12-16(13-15(2)17(14)21)27-20(3,4)18(26)24-8-10-25(11-9-24)19-22-6-5-7-23-19/h5-7,12-13H,8-11H2,1-4H3