2-[4-(3-chloranyl-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol

Systemtic Name: 2-[4-(3-chloranyl-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-(3-chloro-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol CAS Name: 2-[4-(3-chloro-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]ethanol IUPAC Name: 2-[4-(3-chloro-10-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol Traditional Name: 2-[4-(3-chloro-10-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=CC=CC2=C1SC3=C(CC2N4CCN(CC4)CCO)C=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC2=C1SC3=C(CC2N4CCN(CC4)CCO)C=C(C=C3)Cl

InChI

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