1-(9-chloranyl-3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1-(9-chloranyl-3-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine IUPAC Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-(9-chloro-3-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Formula: C18H18ClFN2S MolecularWeight: 348.865323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2CC3=C(C=C(C=C3)Cl)SC4=C2C=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)C2CC3=C(C=C(C=C3)Cl)SC4=C2C=C(C=C4)F

InChI

InChI=1S/C18H18ClFN2S/c19-13-2-1-12-9-16(22-7-5-21-6-8-22)15-11-14(20)3-4-17(15)23-18(12)10-13/h1-4,10-11,16,21H,5-9H2