(2R)-2-(4-bromanylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (2R)-2-(4-bromanylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (2R)-2-(4-bromophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: (2R)-2-(4-bromophenoxy)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: (2R)-2-(4-bromophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (2R)-2-(4-bromophenoxy)-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C18H21BrN4O2 MolecularWeight: 405.28894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4O2/c1-2-16(25-15-6-4-14(19)5-7-15)17(24)22-10-12-23(13-11-22)18-20-8-3-9-21-18/h3-9,16H,2,10-13H2,1H3/t16-/m1/s1