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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 2-(4-chloro-3-methylphenoxy)-2-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-2-methyl-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O2/c1-14-13-15(5-6-16(14)20)26-19(2,3)17(25)23-9-11-24(12-10-23)18-21-7-4-8-22-18/h4-8,13H,9-12H2,1-3H3