2-[4-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]ethanol Formula: C21H25FN2OS MolecularWeight: 372.499403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)CCO

InChI

InChI=1S/C21H25FN2OS/c1-15-2-4-20-16(12-15)13-19(18-14-17(22)3-5-21(18)26-20)24-8-6-23(7-9-24)10-11-25/h2-5,12,14,19,25H,6-11,13H2,1H3