(E)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H17N3O4 MolecularWeight: 375.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C21H17N3O4/c1-14(25)17-9-19-20(28-13-27-19)10-18(17)23-21(26)8-7-15-11-22-24(12-15)16-5-3-2-4-6-16/h2-12H,13H2,1H3,(H,23,26)/b8-7+