5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzo[b][1,4]benzothiazepin-6-one hydrochloride

Systemtic Name: 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzo[b][1,4]benzothiazepin-6-one hydrochloride Openeye Name: 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzo[b][1,4]benzothiazepin-6-one hydrochloride CAS Name: 5-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-6-benzo[b][1,4]benzothiazepinone hydrochloride IUPAC Name: 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzo[b][1,4]benzothiazepin-6-one hydrochloride Traditional Name: 5-[2-[4-(4-fluorophenyl)piperazino]ethyl]benzo[b][1,4]benzothiazepin-6-one hydrochloride Formula: C25H25ClFN3OS MolecularWeight: 470.001903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C3=CC=CC=C3SC4=CC=CC=C4C2=O)C5=CC=C(C=C5)F.Cl

Isomeric SMILES

C1CN(CCN1CCN2C3=CC=CC=C3SC4=CC=CC=C4C2=O)C5=CC=C(C=C5)F.Cl

InChI

InChI=1S/C25H24FN3OS.ClH/c26-19-9-11-20(12-10-19)28-16-13-27(14-17-28)15-18-29-22-6-2-4-8-24(22)31-23-7-3-1-5-21(23)25(29)30;/h1-12H,13-18H2;1H