N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-cyano-2-fluoranyl-benzamide Openeye Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-cyano-2-fluoro-benzamide CAS Name: N-[3-(2-benzo[e][1,3]benzoxazolyl)phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-cyano-2-fluorobenzamide Traditional Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-4-cyano-2-fluoro-benzamide Formula: C25H14FN3O2 MolecularWeight: 407.395963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=O)C5=C(C=C(C=C5)C#N)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=O)C5=C(C=C(C=C5)C#N)F

InChI

InChI=1S/C25H14FN3O2/c26-21-12-15(14-27)8-10-20(21)24(30)28-18-6-3-5-17(13-18)25-29-23-19-7-2-1-4-16(19)9-11-22(23)31-25/h1-13H,(H,28,30)