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

Systemtic Name: 3-chloranyl-5-[4-(3-oxidanylpropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Openeye Name: 3-chloro-5-[4-(3-hydroxypropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol CAS Name: 3-chloro-5-[4-(3-hydroxypropyl)-1-piperazinyl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol IUPAC Name: 3-chloro-5-[4-(3-hydroxypropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Traditional Name: 3-chloro-5-[4-(3-hydroxypropyl)piperazino]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCO)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCCO)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN2O2S/c22-16-3-5-20-18(13-16)19(12-15-2-4-17(26)14-21(15)27-20)24-9-7-23(8-10-24)6-1-11-25/h2-5,13-14,19,25-26H,1,6-12H2