1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(5-ethanoyl-2-methoxy-phenyl)ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(5-bromopyrimidin-2-yl)piperazino]ethanone Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O3/c1-13(25)14-3-4-17(27-2)15(9-14)10-18(26)23-5-7-24(8-6-23)19-21-11-16(20)12-22-19/h3-4,9,11-12H,5-8,10H2,1-2H3