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

Systemtic Name: 8-fluoranyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-4-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine Formula: C21H13F4N3 MolecularWeight: 383.341633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=C(C=C4)C(F)(F)F

InChI

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