(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C21H24BrFN4O MolecularWeight: 447.343863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H24BrFN4O/c1-14(2)21-24-15(3)12-19(25-21)26-8-10-27(11-9-26)20(28)7-4-16-13-17(22)5-6-18(16)23/h4-7,12-14H,8-11H2,1-3H3/b7-4+