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

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-piperonyl-acrylamide Formula: C20H17N3O3 MolecularWeight: 347.36728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3/c24-20(21-11-15-6-8-18-19(10-15)26-14-25-18)9-7-16-12-22-23(13-16)17-4-2-1-3-5-17/h1-10,12-13H,11,14H2,(H,21,24)/b9-7+