(E)-1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-one Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H16N2O3/c23-18(17-7-9-19-20(10-17)25-14-24-19)8-6-16-11-21-22(13-16)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2/b8-6+