(2S)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(2-chloranyl-5-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(2-chloro-5-methylphenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(2-chloro-5-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)O[C@@H](C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H21ClN4O2/c1-13-4-5-15(19)16(12-13)25-14(2)17(24)22-8-10-23(11-9-22)18-20-6-3-7-21-18/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1