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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H21N3O4/c1-31-23-10-9-19(14-25(23)32-2)27-21(16-30(29-27)22-6-4-3-5-7-22)12-20(15-28)18-8-11-24-26(13-18)34-17-33-24/h3-14,16H,17H2,1-2H3