1-[3-(1,3-benzodioxol-5-yl)-5-(2,4-diethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(2,4-diethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(2,4-diethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(2,4-diethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(2,4-diethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2,4-diethoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)C)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=O)C)OCC

InChI

InChI=1S/C22H24N2O5/c1-4-26-16-7-8-17(21(11-16)27-5-2)18-12-19(24(23-18)14(3)25)15-6-9-20-22(10-15)29-13-28-20/h6-11,19H,4-5,12-13H2,1-3H3