1-[[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol

Systemtic Name: 1-[[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: 1-[[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: 1-[[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: 1-[[4-(2,1,3-benzothiadiazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: 1-[[4-(piazthiol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridyl)piperidin-4-ol Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CN=CC=C2)O)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC6=NSN=C6C=C5

Isomeric SMILES

C1CN(CCC1(C2=CN=CC=C2)O)CC3=CC4=C(C=C3)OCCN(C4)CC5=CC6=NSN=C6C=C5

InChI

InChI=1S/C27H29N5O2S/c33-27(23-2-1-9-28-16-23)7-10-31(11-8-27)17-20-4-6-26-22(14-20)19-32(12-13-34-26)18-21-3-5-24-25(15-21)30-35-29-24/h1-6,9,14-16,33H,7-8,10-13,17-19H2