7-(1,3-benzothiazol-2-yl)-4-(quinolin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-(quinolin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-(4-quinolylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-(4-quinolinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-(quinolin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(4-quinolylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C26H21N3O2S MolecularWeight: 439.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CC=NC4=CC=CC=C34)C=C(C=C2O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1COC2=C(CN1CC3=CC=NC4=CC=CC=C34)C=C(C=C2O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H21N3O2S/c30-23-14-18(26-28-22-7-3-4-8-24(22)32-26)13-19-16-29(11-12-31-25(19)23)15-17-9-10-27-21-6-2-1-5-20(17)21/h1-10,13-14,30H,11-12,15-16H2