N-[2-(2-bromanyl-5-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]-4-cyano-benzamide

Systemtic Name: N-[2-(2-bromanyl-5-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]-4-cyano-benzamide Openeye Name: N-[2-(2-bromo-5-fluoro-phenyl)-1,3-benzoxazol-5-yl]-4-cyano-benzamide CAS Name: N-[2-(2-bromo-5-fluorophenyl)-1,3-benzoxazol-5-yl]-4-cyanobenzamide IUPAC Name: N-[2-(2-bromo-5-fluorophenyl)-1,3-benzoxazol-5-yl]-4-cyanobenzamide Traditional Name: N-[2-(2-bromo-5-fluoro-phenyl)-1,3-benzoxazol-5-yl]-4-cyano-benzamide Formula: C21H11BrFN3O2 MolecularWeight: 436.233343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)F)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)F)Br

InChI

InChI=1S/C21H11BrFN3O2/c22-17-7-5-14(23)9-16(17)21-26-18-10-15(6-8-19(18)28-21)25-20(27)13-3-1-12(11-24)2-4-13/h1-10H,(H,25,27)