2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O4/c1-34-24-10-7-19(8-11-24)27-21(18-32(31-27)23-5-3-2-4-6-23)15-20(17-29)28(33)30-22-9-12-25-26(16-22)36-14-13-35-25/h2-12,15-16,18H,13-14H2,1H3,(H,30,33)