2-[4-(2-chloranyl-3-fluoranyl-benzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(2-chloranyl-3-fluoranyl-benzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(2-chloro-3-fluoro-benzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(2-chloro-3-fluoro-5-benzo[b][1]benzothiepinyl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(2-chloro-3-fluorobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(2-chloro-3-fluoro-benzo[b][1]benzothiepin-5-yl)piperazino]ethanol Formula: C20H20ClFN2OS MolecularWeight: 390.902003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)F)Cl

Isomeric SMILES

C1CN(CCN1CCO)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)F)Cl

InChI

InChI=1S/C20H20ClFN2OS/c21-16-13-20-15(12-17(16)22)18(11-14-3-1-2-4-19(14)26-20)24-7-5-23(6-8-24)9-10-25/h1-4,11-13,25H,5-10H2