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

Systemtic Name: 2-fluoranyl-5-phenethyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride Openeye Name: 2-fluoro-5-phenethyl-10-piperazin-1-yl-benzo[b][1,4]benzoxazepin-6-one hydrochloride CAS Name: 2-fluoro-5-phenethyl-10-(1-piperazinyl)-6-benzo[b][1,4]benzoxazepinone hydrochloride IUPAC Name: 2-fluoro-5-phenethyl-10-piperazin-1-ylbenzo[b][1,4]benzoxazepin-6-one hydrochloride Traditional Name: 2-fluoro-5-phenethyl-10-piperazino-benzo[b][1,4]benzoxazepin-6-one hydrochloride Formula: C25H25ClFN3O2 MolecularWeight: 453.936303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC4=C(C=CC(=C4)F)N(C3=O)CCC5=CC=CC=C5.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC4=C(C=CC(=C4)F)N(C3=O)CCC5=CC=CC=C5.Cl

InChI

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