3-(4-bromophenyl)-1-(3-fluoranyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-(4-bromophenyl)-1-(3-fluoranyl-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one Openeye Name: 3-(4-bromophenyl)-1-(3-fluoro-4-pyrimidin-2-yl-piperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(4-bromophenyl)-1-[3-fluoro-4-(2-pyrimidinyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(4-bromophenyl)-1-(3-fluoro-4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one Traditional Name: 3-(4-bromophenyl)-1-[3-fluoro-4-(2-pyrimidyl)piperazino]prop-2-yn-1-one Formula: C17H14BrFN4O MolecularWeight: 389.221663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)Br)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(C(CN1C(=O)C#CC2=CC=C(C=C2)Br)F)C3=NC=CC=N3

InChI

InChI=1S/C17H14BrFN4O/c18-14-5-2-13(3-6-14)4-7-16(24)22-10-11-23(15(19)12-22)17-20-8-1-9-21-17/h1-3,5-6,8-9,15H,10-12H2