(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylamide Formula: C22H17ClN4O3 MolecularWeight: 420.84838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H17ClN4O3/c1-14-18(21(23)27(26-14)17-5-3-2-4-6-17)11-15(13-24)22(28)25-16-7-8-19-20(12-16)30-10-9-29-19/h2-8,11-12H,9-10H2,1H3,(H,25,28)/b15-11+