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

Systemtic Name: (E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-[3-(1-pyrrolyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(3-pyrrol-1-ylphenyl)prop-2-en-1-one Formula: C24H20BrN3O2 MolecularWeight: 462.3385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=CC=C2)N3C=CC=C3)CN4C=C(C=N4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C=CC=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C24H20BrN3O2/c1-30-24-10-8-18(13-20(24)16-28-17-21(25)15-26-28)7-9-23(29)19-5-4-6-22(14-19)27-11-2-3-12-27/h2-15,17H,16H2,1H3/b9-7+