(E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enamide Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-piperonyl-acrylamide Formula: C22H19N3O3 MolecularWeight: 373.40456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H19N3O3/c23-10-3-11-25-14-17(18-4-1-2-5-19(18)25)7-9-22(26)24-13-16-6-8-20-21(12-16)28-15-27-20/h1-2,4-9,12,14H,3,11,13,15H2,(H,24,26)/b9-7+