(E)-1-(4-bromophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C26H21BrN2O3 MolecularWeight: 489.36054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C/C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H21BrN2O3/c1-31-24-15-11-19(16-25(24)32-2)26-20(17-29(28-26)22-6-4-3-5-7-22)10-14-23(30)18-8-12-21(27)13-9-18/h3-17H,1-2H3/b14-10+