2-fluoranyl-N-[4-(7-fluoranyl-2-phenyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-(7-fluoranyl-2-phenyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]benzamide Openeye Name: 2-fluoro-N-[4-(7-fluoro-2-phenyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]benzamide CAS Name: 2-fluoro-N-[4-(7-fluoro-2-phenyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-(7-fluoro-2-phenyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]benzamide Traditional Name: 2-fluoro-N-[4-(7-fluoro-2-phenyl-4H-1,3,4-benzotriazepin-5-yl)phenyl]benzamide Formula: C27H18F2N4O MolecularWeight: 452.454826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C27H18F2N4O/c28-19-12-15-24-22(16-19)25(32-33-26(31-24)18-6-2-1-3-7-18)17-10-13-20(14-11-17)30-27(34)21-8-4-5-9-23(21)29/h1-16,32H,(H,30,34)