1-(3-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine

Systemtic Name: 1-(3-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine Openeye Name: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine CAS Name: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine IUPAC Name: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine Traditional Name: 1-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-[2-(1,3-dioxan-2-yl)ethyl]piperazine Formula: C24H28ClFN2O2S MolecularWeight: 463.007723

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCN2CCN(CC2)C3CC4=C(C=CC(=C4)Cl)SC5=C3C=CC(=C5)F

Isomeric SMILES

C1COC(OC1)CCN2CCN(CC2)C3CC4=C(C=CC(=C4)Cl)SC5=C3C=CC(=C5)F

InChI

InChI=1S/C24H28ClFN2O2S/c25-18-2-5-22-17(14-18)15-21(20-4-3-19(26)16-23(20)31-22)28-10-8-27(9-11-28)7-6-24-29-12-1-13-30-24/h2-5,14,16,21,24H,1,6-13,15H2