2-[4-(9-fluoranyl-3-propan-2-yl-benzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(9-fluoranyl-3-propan-2-yl-benzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(9-fluoro-3-isopropyl-benzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(9-fluoro-3-propan-2-yl-5-benzo[b][1]benzothiepinyl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(9-fluoro-3-propan-2-ylbenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(9-fluoro-3-isopropyl-benzo[b][1]benzothiepin-5-yl)piperazino]ethanol Formula: C23H27FN2OS MolecularWeight: 398.536683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C=C2N4CCN(CC4)CCO

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C=C2N4CCN(CC4)CCO

InChI

InChI=1S/C23H27FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13-16,27H,7-12H2,1-2H3