3-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol

Systemtic Name: 3-chloranyl-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Openeye Name: 3-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol CAS Name: 3-chloro-5-[4-(2-hydroxyethyl)-1-piperazinyl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol IUPAC Name: 3-chloro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Traditional Name: 3-chloro-5-[4-(2-hydroxyethyl)piperazino]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C20H23ClN2O2S/c21-15-2-4-19-17(12-15)18(23-7-5-22(6-8-23)9-10-24)11-14-1-3-16(25)13-20(14)26-19/h1-4,12-13,18,24-25H,5-11H2