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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-[2-(2-pyridinyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxyethanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxyethanone Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methoxy-ethanone Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC3=CC=CC=N3)C4=CSC5=CC=CC=C54

Isomeric SMILES

COCC(=O)N1CCOC2=C(C1)C=C(C=C2OCCC3=CC=CC=N3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H26N2O4S/c1-31-17-26(30)29-11-13-33-27-20(16-29)14-19(23-18-34-25-8-3-2-7-22(23)25)15-24(27)32-12-9-21-6-4-5-10-28-21/h2-8,10,14-15,18H,9,11-13,16-17H2,1H3