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

Systemtic Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-fluoranyl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-5-(4-ethoxyphenyl)-7-fluoro-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-fluoro-5-p-phenetyl-4H-1,3,4-benzotriazepine Formula: C22H17BrFN3O MolecularWeight: 438.292283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)Br)F

InChI

InChI=1S/C22H17BrFN3O/c1-2-28-18-10-5-14(6-11-18)21-19-13-17(24)9-12-20(19)25-22(27-26-21)15-3-7-16(23)8-4-15/h3-13,26H,2H2,1H3