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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methyl-1-pyrazolyl)ethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-ethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(5-methylpyrazol-1-yl)ethanone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-3-30-22-13-18(21-16-32-23-7-5-4-6-20(21)23)12-19-14-27(10-11-31-25(19)22)24(29)15-28-17(2)8-9-26-28/h4-9,12-13,16H,3,10-11,14-15H2,1-2H3