2-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]-N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: 2-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C21H19F3N8O3 MolecularWeight: 488.42257

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=NC=C(C(=N4)C(F)(F)F)C(=O)NC5=NC=NN5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=NC=C(C(=N4)C(F)(F)F)C(=O)NC5=NC=NN5

InChI

InChI=1S/C21H19F3N8O3/c22-21(23,24)16-14(17(33)29-18-26-11-27-30-18)9-25-19(28-16)31-7-5-13(6-8-31)32-15-4-2-1-3-12(15)10-35-20(32)34/h1-4,9,11,13H,5-8,10H2,(H2,26,27,29,30,33)