3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(2-fluorophenyl)-2-propenenitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)acrylonitrile Formula: C22H17FN2O2 MolecularWeight: 360.380983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C4=CC=CC=C4F

InChI

InChI=1S/C22H17FN2O2/c1-14-9-16(10-17(12-24)19-5-3-4-6-20(19)23)15(2)25(14)18-7-8-21-22(11-18)27-13-26-21/h3-11H,13H2,1-2H3