3-[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enamide CAS Name: 3-[1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylamide Formula: C23H19BrFN3O MolecularWeight: 452.318863

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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)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C=C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H19BrFN3O/c1-15-10-18(16(2)28(15)22-9-8-20(24)12-21(22)25)11-19(13-26)23(29)27-14-17-6-4-3-5-7-17/h3-12H,14H2,1-2H3,(H,27,29)