2-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3,3-dimethyl-butanenitrile

Systemtic Name: 2-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3,3-dimethyl-butanenitrile Openeye Name: 2-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3,3-dimethyl-butanenitrile CAS Name: 2-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3,3-dimethylbutanenitrile IUPAC Name: 2-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3,3-dimethylbutanenitrile Traditional Name: 2-tert-butyl-3-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C19H21FN2 MolecularWeight: 296.381843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C(C#N)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C(C#N)C(C)(C)C

InChI

InChI=1S/C19H21FN2/c1-13-10-15(11-16(12-21)19(3,4)5)14(2)22(13)18-8-6-17(20)7-9-18/h6-11H,1-5H3