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

Systemtic Name: 3-[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile Openeye Name: 3-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile CAS Name: 3-[1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-fluorophenyl)-2-propenenitrile IUPAC Name: 3-[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile Traditional Name: 3-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)acrylonitrile Formula: C21H15BrF2N2 MolecularWeight: 413.258006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C=C(C#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C=C(C#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H15BrF2N2/c1-13-9-15(10-16(12-25)18-5-3-4-6-19(18)23)14(2)26(13)21-8-7-17(22)11-20(21)24/h3-11H,1-2H3