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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-[2-(2-pyridinyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenylethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-phenyl-ethanone Formula: C32H28N2O3S MolecularWeight: 520.64132

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1C(=O)CC3=CC=CC=C3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

Isomeric SMILES

C1COC2=C(CN1C(=O)CC3=CC=CC=C3)C=C(C=C2OCCC4=CC=CC=N4)C5=CSC6=CC=CC=C65

InChI

InChI=1S/C32H28N2O3S/c35-31(18-23-8-2-1-3-9-23)34-15-17-37-32-25(21-34)19-24(28-22-38-30-12-5-4-11-27(28)30)20-29(32)36-16-13-26-10-6-7-14-33-26/h1-12,14,19-20,22H,13,15-18,21H2