(E)-3-[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(2-ethyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(2-ethylpyrazol-3-yl)prop-2-en-1-one Formula: C22H21BrN2O3 MolecularWeight: 441.31774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)C=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=CC=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN2O3/c1-3-25-20(12-13-24-25)21(26)10-4-16-5-11-22(27-2)17(14-16)15-28-19-8-6-18(23)7-9-19/h4-14H,3,15H2,1-2H3/b10-4+