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

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-cyano-2-fluoranyl-benzamide Openeye Name: 4-cyano-2-fluoro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide CAS Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-cyano-2-fluorobenzamide Traditional Name: 4-cyano-2-fluoro-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide Formula: C25H20FN3O2 MolecularWeight: 413.443603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C25H20FN3O2/c1-3-15(2)18-7-11-23-22(13-18)29-25(31-23)17-5-8-19(9-6-17)28-24(30)20-10-4-16(14-27)12-21(20)26/h4-13,15H,3H2,1-2H3,(H,28,30)