2-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 2-(3,5-dimethoxyphenyl)-5-(3-pyridyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 2-(3,5-dimethoxyphenyl)-5-(3-pyridinyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(3,5-dimethoxyphenyl)-5-pyridin-3-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 2-(3,5-dimethoxyphenyl)-5-(3-pyridyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C22H17F3N4O3 MolecularWeight: 442.39059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F3N4O3/c1-30-16-8-14(9-17(10-16)31-2)21-27-19-6-5-15(32-22(23,24)25)11-18(19)20(28-29-21)13-4-3-7-26-12-13/h3-12,28H,1-2H3