1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-[2-(2-pyridinyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(1-pyrazolyl)ethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-ylethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-pyrazol-1-yl-ethanone Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)CN3C=CC=N3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COC2=C(CN1C(=O)CN3C=CC=N3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C29H26N4O3S/c34-28(19-33-12-5-11-31-33)32-13-15-36-29-22(18-32)16-21(25-20-37-27-8-2-1-7-24(25)27)17-26(29)35-14-9-23-6-3-4-10-30-23/h1-8,10-12,16-17,20H,9,13-15,18-19H2