N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-piperonyl-acrylamide Formula: C28H25N3O5 MolecularWeight: 483.5152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H25N3O5/c1-33-23-12-9-20(15-25(23)34-2)28-21(17-31(30-28)22-6-4-3-5-7-22)10-13-27(32)29-16-19-8-11-24-26(14-19)36-18-35-24/h3-15,17H,16,18H2,1-2H3,(H,29,32)