8-chloranyl-2,3-dimethoxy-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide

Systemtic Name: 8-chloranyl-2,3-dimethoxy-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Openeye Name: 8-chloro-2,3-dimethoxy-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide CAS Name: 8-chloro-2,3-dimethoxy-6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide IUPAC Name: 8-chloro-2,3-dimethoxy-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Traditional Name: 8-chloro-2,3-dimethoxy-6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC(=C(C=C3S(=O)C4=C2C=C(C=C4)Cl)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC(=C(C=C3S(=O)C4=C2C=C(C=C4)Cl)OC)OC

InChI

InChI=1S/C21H25ClN2O3S/c1-23-6-8-24(9-7-23)17-10-14-11-18(26-2)19(27-3)13-21(14)28(25)20-5-4-15(22)12-16(17)20/h4-5,11-13,17H,6-10H2,1-3H3