3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-pyridin-2-yl-prop-2-enenitrile

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-pyridin-2-yl-prop-2-enenitrile Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-(2-pyridyl)prop-2-enenitrile CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-(2-pyridinyl)-2-propenenitrile IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]-2-(2-pyridyl)acrylonitrile Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H18N4O2/c26-16-19(22-8-4-5-11-27-22)14-20-17-29(21-6-2-1-3-7-21)28-25(20)18-9-10-23-24(15-18)31-13-12-30-23/h1-11,14-15,17H,12-13H2