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

Systemtic Name: 4-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-2-piperazin-1-yl-butan-2-ol Openeye Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-2-piperazin-1-yl-butan-2-ol CAS Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-2-(1-piperazinyl)-2-butanol IUPAC Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-2-piperazin-1-ylbutan-2-ol Traditional Name: 4-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-2-piperazino-butan-2-ol Formula: C22H27ClN2O2S MolecularWeight: 418.97998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)(N4CCNCC4)O

Isomeric SMILES

CC(CCOC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13)(N4CCNCC4)O

InChI

InChI=1S/C22H27ClN2O2S/c1-22(26,25-11-9-24-10-12-25)8-13-27-19-15-16-14-17(23)6-7-20(16)28-21-5-3-2-4-18(19)21/h2-7,14,19,24,26H,8-13,15H2,1H3