4-[(E)-2-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

Systemtic Name: 4-[(E)-2-(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Openeye Name: 4-[(E)-2-(2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one CAS Name: 4-[(E)-2-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one IUPAC Name: 4-[(E)-2-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Traditional Name: 4-[(E)-2-(2-bromo-5-methoxy-4-propargyloxy-phenyl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one Formula: C17H12BrF3N2O3 MolecularWeight: 429.18799

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC2=NC(=O)NC(=C2)C(F)(F)F)Br)OCC#C

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C2=NC(=O)NC(=C2)C(F)(F)F)Br)OCC#C

InChI

InChI=1S/C17H12BrF3N2O3/c1-3-6-26-14-9-12(18)10(7-13(14)25-2)4-5-11-8-15(17(19,20)21)23-16(24)22-11/h1,4-5,7-9H,6H2,2H3,(H,22,23,24)/b5-4+