1-[7-(1-benzothiophen-3-yl)-9-(pyridin-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[7-(1-benzothiophen-3-yl)-9-(pyridin-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one Openeye Name: 1-[7-(benzothiophen-3-yl)-9-(2-pyridylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one CAS Name: 1-[7-(1-benzothiophen-3-yl)-9-(2-pyridinylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-1-butanone IUPAC Name: 1-[7-(1-benzothiophen-3-yl)-9-(pyridin-2-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethylbutan-1-one Traditional Name: 1-[7-(benzothiophen-3-yl)-9-(2-pyridylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-ethyl-butan-1-one Formula: C29H30N2O3S MolecularWeight: 486.6251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CC=CC=N3)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCC(CC)C(=O)N1CCOC2=C(C1)C=C(C=C2OCC3=CC=CC=N3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C29H30N2O3S/c1-3-20(4-2)29(32)31-13-14-33-28-22(17-31)15-21(25-19-35-27-11-6-5-10-24(25)27)16-26(28)34-18-23-9-7-8-12-30-23/h5-12,15-16,19-20H,3-4,13-14,17-18H2,1-2H3