1-fluoranyl-5-phenethyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride

Systemtic Name: 1-fluoranyl-5-phenethyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride Openeye Name: 1-fluoro-5-phenethyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride CAS Name: 1-fluoro-5-phenethyl-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone hydrochloride IUPAC Name: 1-fluoro-5-phenethyl-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one hydrochloride Traditional Name: 1-fluoro-5-phenethyl-10-piperazino-benzo[b][1,4]benzoxazepin-6-one hydrochloride Formula: C25H25ClFN3O2 MolecularWeight: 453.936303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC4=C(C=CC=C4F)N(C3=O)CCC5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=C(C=CC=C4F)N(C3=O)CCC5=CC=CC=C5.Cl

InChI

InChI=1S/C25H24FN3O2.ClH/c26-20-9-5-11-22-24(20)31-23-19(8-4-10-21(23)28-16-13-27-14-17-28)25(30)29(22)15-12-18-6-2-1-3-7-18;/h1-11,27H,12-17H2;1H