1-(4-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: 1-(4-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: 1-(4-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: 1-(4-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: 1-(4-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Formula: C26H19BrN2O3 MolecularWeight: 487.34466

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=CC(=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O3/c27-21-10-6-18(7-11-21)23(30)12-8-20-17-29(22-4-2-1-3-5-22)28-26(20)19-9-13-24-25(16-19)32-15-14-31-24/h1-13,16-17H,14-15H2