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

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

CC(CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

Isomeric SMILES

CC(CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C22H27ClN2OS/c1-16(26)8-9-24-10-12-25(13-11-24)20-14-17-4-2-3-5-21(17)27-22-7-6-18(23)15-19(20)22/h2-7,15-16,20,26H,8-14H2,1H3