1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]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]propan-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]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]-1-propanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridin-2-ylethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-[2-(2-pyridyl)ethoxy]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S/c1-2-26(30)29-12-14-32-27-20(17-29)15-19(23-18-33-25-9-4-3-8-22(23)25)16-24(27)31-13-10-21-7-5-6-11-28-21/h3-9,11,15-16,18H,2,10,12-14,17H2,1H3