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

Systemtic Name: 5-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]pentan-2-ol Openeye Name: 5-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]pentan-2-ol CAS Name: 5-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-2-pentanol IUPAC Name: 5-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]pentan-2-ol Traditional Name: 5-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]pentan-2-ol Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

Isomeric SMILES

CC(CCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C23H29ClN2OS/c1-17(27)5-4-10-25-11-13-26(14-12-25)21-15-18-6-2-3-7-22(18)28-23-9-8-19(24)16-20(21)23/h2-3,6-9,16-17,21,27H,4-5,10-15H2,1H3