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

Systemtic Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: 2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3/c22-12-15(21(23)26)10-16-13-25(17-4-2-1-3-5-17)24-20(16)14-6-7-18-19(11-14)28-9-8-27-18/h1-7,10-11,13H,8-9H2,(H2,23,26)