2-[4-(9-fluoranyl-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(9-fluoranyl-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(9-fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]ethanol Formula: C20H22FN3O3S MolecularWeight: 403.470383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O3S/c21-15-2-1-14-11-18(23-7-5-22(6-8-23)9-10-25)17-13-16(24(26)27)3-4-19(17)28-20(14)12-15/h1-4,12-13,18,25H,5-11H2