2-cyano-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Openeye Name: 2-cyano-N-(4-fluorophenyl)-3-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: 2-cyano-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-N-(4-fluorophenyl)-2-propenamide IUPAC Name: 2-cyano-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Traditional Name: 2-cyano-3-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-N-(4-fluorophenyl)acrylamide Formula: C25H24FN3O MolecularWeight: 401.475963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C25H24FN3O/c1-16(2)19-5-11-24(12-6-19)29-17(3)13-20(18(29)4)14-21(15-27)25(30)28-23-9-7-22(26)8-10-23/h5-14,16H,1-4H3,(H,28,30)