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

Systemtic Name: 3-[4-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol CAS Name: 3-[4-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol Traditional Name: 3-[4-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propan-1-ol Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO

InChI

InChI=1S/C25H34N2OS/c1-2-3-7-20-10-11-25-22(18-20)23(19-21-8-4-5-9-24(21)29-25)27-15-13-26(14-16-27)12-6-17-28/h4-5,8-11,18,23,28H,2-3,6-7,12-17,19H2,1H3