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

Systemtic Name: 3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(3-fluorophenyl)prop-2-enenitrile Openeye Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-fluorophenyl)prop-2-enenitrile CAS Name: 3-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(3-fluorophenyl)-2-propenenitrile IUPAC Name: 3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3-fluorophenyl)prop-2-enenitrile Traditional Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-fluorophenyl)acrylonitrile Formula: C22H19FN2 MolecularWeight: 330.398063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C(C#N)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=C(C#N)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H19FN2/c1-16-11-20(12-21(14-24)19-9-6-10-22(23)13-19)17(2)25(16)15-18-7-4-3-5-8-18/h3-13H,15H2,1-2H3