7-thiophen-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-thiophen-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(2-thienyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-thiophen-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-thiophen-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(2-thienyl)-4-[4-(trifluoromethyl)benzyl]-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C21H18F3NO2S MolecularWeight: 405.43333

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CC=C(C=C3)C(F)(F)F)C=C(C=C2O)C4=CC=CS4

Isomeric SMILES

C1COC2=C(CN1CC3=CC=C(C=C3)C(F)(F)F)C=C(C=C2O)C4=CC=CS4

InChI

InChI=1S/C21H18F3NO2S/c22-21(23,24)17-5-3-14(4-6-17)12-25-7-8-27-20-16(13-25)10-15(11-18(20)26)19-2-1-9-28-19/h1-6,9-11,26H,7-8,12-13H2