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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=C(C=N3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=C(C=N3)Br

InChI

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