1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one

Systemtic Name: 1-(3-bromanyl-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Openeye Name: 1-(3-bromo-4-pyrimidin-2-yl-piperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one CAS Name: 1-[3-bromo-4-(2-pyrimidinyl)-1-piperazinyl]-3-[4-(trifluoromethyl)phenyl]-2-propyn-1-one IUPAC Name: 1-(3-bromo-4-pyrimidin-2-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Traditional Name: 1-[3-bromo-4-(2-pyrimidyl)piperazino]-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-one Formula: C18H14BrF3N4O MolecularWeight: 439.22917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrF3N4O/c19-15-12-25(10-11-26(15)17-23-8-1-9-24-17)16(27)7-4-13-2-5-14(6-3-13)18(20,21)22/h1-3,5-6,8-9,15H,10-12H2