1-(3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine

Systemtic Name: 1-(3-chloranyl-8-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine Openeye Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine CAS Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine IUPAC Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine Traditional Name: 1-(3-chloro-8-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine Formula: C18H18ClFN2S MolecularWeight: 348.865323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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