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

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)O[C@@H](C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H23ClN4O2/c1-13-11-16(12-14(2)17(13)20)26-15(3)18(25)23-7-9-24(10-8-23)19-21-5-4-6-22-19/h4-6,11-12,15H,7-10H2,1-3H3/t15-/m0/s1