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

Systemtic Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-(3-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propan-1-ol Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO

Isomeric SMILES

CCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO

InChI

InChI=1S/C23H30N2OS/c1-2-18-8-9-23-20(16-18)21(17-19-6-3-4-7-22(19)27-23)25-13-11-24(12-14-25)10-5-15-26/h3-4,6-9,16,21,26H,2,5,10-15,17H2,1H3