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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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