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

Systemtic Name: (E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(3-methoxy-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4/c1-27-20-8-4-14(9-16(20)12-24-13-17(22)11-23-24)3-6-18(25)15-5-7-19(26)21(10-15)28-2/h3-11,13,26H,12H2,1-2H3/b6-3+