(E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(=CC3=CN(N=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)/C(=C/C3=CN(N=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C21H16N4O3/c22-12-16(10-15-13-23-25(14-15)18-4-2-1-3-5-18)21(26)24-17-6-7-19-20(11-17)28-9-8-27-19/h1-7,10-11,13-14H,8-9H2,(H,24,26)/b16-10+