(E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-phenethyl-acrylamide Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(\C#N)/C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-17-12-20(18(2)28(17)22-8-9-23-24(14-22)31-16-30-23)13-21(15-26)25(29)27-11-10-19-6-4-3-5-7-19/h3-9,12-14H,10-11,16H2,1-2H3,(H,27,29)/b21-13+