2-[4-(3-chloranyl-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(3-chloranyl-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(3-chloro-8-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazino]ethanol Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-26-17-3-5-21-18(14-17)19(24-8-6-23(7-9-24)10-11-25)13-15-12-16(22)2-4-20(15)27-21/h2-5,12,14,19,25H,6-11,13H2,1H3