N-[(E)-[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(E)-[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide Openeye Name: N-[(E)-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzofuran-2-carboxamide CAS Name: N-[(E)-[1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2-benzofurancarboxamide IUPAC Name: N-[(E)-[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide Traditional Name: N-[(E)-[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]coumarilamide Formula: C22H17BrFN3O2 MolecularWeight: 454.291683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C=NNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)/C=N/NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H17BrFN3O2/c1-13-9-16(14(2)27(13)19-8-7-17(23)11-18(19)24)12-25-26-22(28)21-10-15-5-3-4-6-20(15)29-21/h3-12H,1-2H3,(H,26,28)/b25-12+