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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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