4-(4-methoxyphenyl)-2-pyridin-3-yl-8-(trifluoromethyloxy)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-methoxyphenyl)-2-pyridin-3-yl-8-(trifluoromethyloxy)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-methoxyphenyl)-2-(3-pyridyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-methoxyphenyl)-2-(3-pyridinyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-methoxyphenyl)-2-pyridin-3-yl-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-methoxyphenyl)-2-(3-pyridyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Formula: C21H15F3N4O2 MolecularWeight: 412.36461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)NC(=N2)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)NC(=N2)C4=CN=CC=C4

InChI

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