1-(3-chloranyl-2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: 1-(3-chloranyl-2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(3-chloro-2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-(3-chloro-2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine IUPAC Name: 1-(3-chloro-2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(3-chloro-2,9-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=CC(=C(C=C24)Cl)OC

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)SC4=CC(=C(C=C24)Cl)OC

InChI

InChI=1S/C21H25ClN2O2S/c1-23-6-8-24(9-7-23)18-10-14-4-5-15(25-2)11-20(14)27-21-13-19(26-3)17(22)12-16(18)21/h4-5,11-13,18H,6-10H2,1-3H3