1-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol Openeye Name: 1-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol CAS Name: 1-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol Traditional Name: 2-phenyl-1-[4-(piazthiol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]ethanol Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CC4=NSN=C4C=C3)C=C(C=C2)C(CC5=CC=CC=C5)O

Isomeric SMILES

C1COC2=C(CN1CC3=CC4=NSN=C4C=C3)C=C(C=C2)C(CC5=CC=CC=C5)O

InChI

InChI=1S/C24H23N3O2S/c28-23(13-17-4-2-1-3-5-17)19-7-9-24-20(14-19)16-27(10-11-29-24)15-18-6-8-21-22(12-18)26-30-25-21/h1-9,12,14,23,28H,10-11,13,15-16H2