1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[7-(3-chlorophenyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone CAS Name: 1-[7-(3-chlorophenyl)-9-(2-oxanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[7-(3-chlorophenyl)-9-(oxan-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[7-(3-chlorophenyl)-9-(tetrahydropyran-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3-thienyl)ethanone Formula: C27H28ClNO4S MolecularWeight: 498.03352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=CC(=CC3=C2OCCN(C3)C(=O)CC4=CSC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCOC(C1)COC2=CC(=CC3=C2OCCN(C3)C(=O)CC4=CSC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H28ClNO4S/c28-23-5-3-4-20(14-23)21-13-22-16-29(26(30)12-19-7-11-34-18-19)8-10-32-27(22)25(15-21)33-17-24-6-1-2-9-31-24/h3-5,7,11,13-15,18,24H,1-2,6,8-10,12,16-17H2