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

Systemtic Name: 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazino]ethanol Formula: C20H23ClN2OS MolecularWeight: 374.92742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C20H23ClN2OS/c21-16-5-6-19-15(13-16)14-18(17-3-1-2-4-20(17)25-19)23-9-7-22(8-10-23)11-12-24/h1-6,13,18,24H,7-12,14H2