(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C22H18N4O4 MolecularWeight: 402.40272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/C#N

InChI

InChI=1S/C22H18N4O4/c1-14-20(22(28)26(25(14)2)17-6-4-3-5-7-17)24-21(27)16(12-23)10-15-8-9-18-19(11-15)30-13-29-18/h3-11H,13H2,1-2H3,(H,24,27)/b16-10+