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

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(3-fluorophenyl)-2-propenenitrile IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-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=C4)F

Isomeric SMILES

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

InChI

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