7-fluoranyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 7-fluoranyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C21H13F4N3 MolecularWeight: 383.341633

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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)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H13F4N3/c22-16-10-11-18-17(12-16)19(13-6-8-15(9-7-13)21(23,24)25)27-28-20(26-18)14-4-2-1-3-5-14/h1-12,27H