2-(4-methoxyphenyl)-5-phenyl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-methoxyphenyl)-5-phenyl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-5-phenyl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-5-phenyl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-5-phenyl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-5-phenyl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C22H16F3N3O2 MolecularWeight: 411.37655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)OC(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H16F3N3O2/c1-29-16-9-7-15(8-10-16)21-26-19-12-11-17(30-22(23,24)25)13-18(19)20(27-28-21)14-5-3-2-4-6-14/h2-13,27H,1H3