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

Systemtic Name: 2-(4-methoxyphenyl)-5-pyridin-3-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-5-(3-pyridyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methoxyphenyl)-5-(3-pyridinyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-5-pyridin-3-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-5-(3-pyridyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C21H15F3N4O2 MolecularWeight: 412.36461

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N4O2/c1-29-15-6-4-13(5-7-15)20-26-18-9-8-16(30-21(22,23)24)11-17(18)19(27-28-20)14-3-2-10-25-12-14/h2-12,27H,1H3