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

Systemtic Name: 1-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol Openeye Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol CAS Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-2-butanol IUPAC Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]butan-2-ol Traditional Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]butan-2-ol Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

Isomeric SMILES

CCC(CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C22H27ClN2OS/c1-2-18(26)15-24-9-11-25(12-10-24)20-13-16-5-3-4-6-21(16)27-22-8-7-17(23)14-19(20)22/h3-8,14,18,20,26H,2,9-13,15H2,1H3