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

Systemtic Name: (E)-3-[3-[(2-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(2-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)C=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br

Isomeric SMILES

CN1C=CC(=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br

InChI

InChI=1S/C21H19BrN2O3/c1-24-12-11-18(23-24)19(25)9-7-15-8-10-20(26-2)16(13-15)14-27-21-6-4-3-5-17(21)22/h3-13H,14H2,1-2H3/b9-7+