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

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-[2-(2-pyridinyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-1-propanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methylpropan-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-methyl-propan-1-one Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-19(2)28(31)30-12-14-33-27-21(17-30)15-20(24-18-34-26-9-4-3-8-23(24)26)16-25(27)32-13-10-22-7-5-6-11-29-22/h3-9,11,15-16,18-19H,10,12-14,17H2,1-2H3