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

Systemtic Name: (E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(4-methylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-(4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(p-tolyl)prop-2-en-1-one Formula: C21H19BrN2O2 MolecularWeight: 411.29176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC)CN3C=C(C=N3)Br

InChI

InChI=1S/C21H19BrN2O2/c1-15-3-7-17(8-4-15)20(25)9-5-16-6-10-21(26-2)18(11-16)13-24-14-19(22)12-23-24/h3-12,14H,13H2,1-2H3/b9-5+