1-(3-chloranyl-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine dihydrochloride

Systemtic Name: 1-(3-chloranyl-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine dihydrochloride Openeye Name: 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine dihydrochloride CAS Name: 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine dihydrochloride IUPAC Name: 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine dihydrochloride Traditional Name: 1-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine dihydrochloride Formula: C20H25Cl3N2OS MolecularWeight: 447.8493

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C20H23ClN2OS.2ClH/c1-22-7-9-23(10-8-22)18-12-14-11-15(21)3-5-19(14)25-20-6-4-16(24-2)13-17(18)20;;/h3-6,11,13,18H,7-10,12H2,1-2H3;2*1H