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

Systemtic Name: 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Openeye Name: 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine CAS Name: 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine IUPAC Name: 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Traditional Name: 1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=CC=CC=C24)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=CC=CC=C24)OC)OC

InChI

InChI=1S/C21H26N2O2S/c1-22-8-10-23(11-9-22)17-12-15-13-18(24-2)19(25-3)14-21(15)26-20-7-5-4-6-16(17)20/h4-7,13-14,17H,8-12H2,1-3H3