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

Systemtic Name: (E)-3-[3-[(4-bromanylphenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxy-phenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methyl-3-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-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=C(C=C3)Br

Isomeric SMILES

CN1C=CC(=N1)C(=O)/C=C/C2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)Br

InChI

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