3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(4-fluorophenyl)prop-2-enenitrile

Systemtic Name: 3-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(4-fluorophenyl)prop-2-enenitrile Openeye Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile CAS Name: 3-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(4-fluorophenyl)-2-propenenitrile IUPAC Name: 3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile Traditional Name: 3-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-fluorophenyl)acrylonitrile Formula: C22H19FN2 MolecularWeight: 330.398063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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