tert-butyl 4-[[7-(trifluoromethyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[7-(trifluoromethyloxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(trifluoromethoxy)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[7-(trifluoromethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(trifluoromethoxy)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[7-(trifluoromethoxy)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26F3N3O5 MolecularWeight: 445.43275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCOC3=C(C2)C=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H26F3N3O5/c1-19(2,3)31-18(28)25-8-6-24(7-9-25)17(27)26-10-11-29-16-5-4-15(12-14(16)13-26)30-20(21,22)23/h4-5,12H,6-11,13H2,1-3H3