1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C(=CC(=N3)C)C)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCOC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C(=CC(=N3)C)C)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C26H27N3O3S/c1-4-31-23-13-19(22-16-33-24-8-6-5-7-21(22)24)12-20-14-28(9-10-32-26(20)23)25(30)15-29-18(3)11-17(2)27-29/h5-8,11-13,16H,4,9-10,14-15H2,1-3H3