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

Systemtic Name: 1-(3-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: 1-(3-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-en-1-one CAS Name: 1-(3-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propen-1-one IUPAC Name: 1-(3-bromophenyl)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one Traditional Name: 1-(3-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(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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