1-[4-(3-azanyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol

Systemtic Name: 1-[4-(3-azanyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol Openeye Name: 1-[4-(3-amino-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol CAS Name: 1-[4-(3-amino-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-2-butanol IUPAC Name: 1-[4-(3-amino-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol Traditional Name: 1-[4-(3-amino-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]butan-2-ol Formula: C22H28FN3OS MolecularWeight: 401.540623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)N)O

Isomeric SMILES

CCC(CN1CCN(CC1)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)N)O

InChI

InChI=1S/C22H28FN3OS/c1-2-18(27)14-25-7-9-26(10-8-25)20-11-15-3-4-16(23)12-22(15)28-21-6-5-17(24)13-19(20)21/h3-6,12-13,18,20,27H,2,7-11,14,24H2,1H3