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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC[C@@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)OC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C20H25ClN4O2/c1-4-17(27-16-12-14(2)18(21)15(3)13-16)19(26)24-8-10-25(11-9-24)20-22-6-5-7-23-20/h5-7,12-13,17H,4,8-11H2,1-3H3/t17-/m0/s1