2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C26H27FN4O2 MolecularWeight: 446.516583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CN3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5F

InChI

InChI=1S/C26H27FN4O2/c27-22-9-3-2-8-21(22)24-18-29(17-20-7-1-4-10-23(20)33-24)19-26(32)31-15-13-30(14-16-31)25-11-5-6-12-28-25/h1-12,24H,13-19H2