1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone

Systemtic Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone Openeye Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone Traditional Name: 1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(4-fluorophenyl)ethanone Formula: C25H22FN3O2 MolecularWeight: 415.459483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN3O2/c26-19-11-9-18(10-12-19)17-24(30)28-13-15-29(16-14-28)25-20-5-1-3-7-22(20)31-23-8-4-2-6-21(23)27-25/h1-12H,13-17H2