2-(4-bromophenyl)-7-fluoranyl-5-phenyl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-bromophenyl)-7-fluoranyl-5-phenyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-fluoro-5-phenyl-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-fluoro-5-phenyl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-fluoro-5-phenyl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-fluoro-5-phenyl-4H-1,3,4-benzotriazepine Formula: C20H13BrFN3 MolecularWeight: 394.239723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

InChI

InChI=1S/C20H13BrFN3/c21-15-8-6-14(7-9-15)20-23-18-11-10-16(22)12-17(18)19(24-25-20)13-4-2-1-3-5-13/h1-12,24H