[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-fluoro-4-methyl-phenyl)methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-(3-fluoro-4-methylphenyl)methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-(3-fluoro-4-methyl-phenyl)methanone Formula: C16H16BrFN4O MolecularWeight: 379.226843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)F

InChI

InChI=1S/C16H16BrFN4O/c1-11-2-3-12(8-14(11)18)15(23)21-4-6-22(7-5-21)16-19-9-13(17)10-20-16/h2-3,8-10H,4-7H2,1H3