7-fluoranyl-2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 7-fluoranyl-2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxy-phenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-benzyloxy-3-methoxy-phenyl)-7-fluoro-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-benzoxy-3-methoxy-phenyl)-7-fluoro-2-(4-fluorophenyl)-4H-1,3,4-benzotriazepine Formula: C28H21F2N3O2 MolecularWeight: 469.482046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)F)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)F)OCC5=CC=CC=C5

InChI

InChI=1S/C28H21F2N3O2/c1-34-26-15-20(9-14-25(26)35-17-18-5-3-2-4-6-18)27-23-16-22(30)12-13-24(23)31-28(33-32-27)19-7-10-21(29)11-8-19/h2-16,32H,17H2,1H3