4-[4-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]but-2-yn-1-ol

Systemtic Name: 4-[4-(3-fluoranyl-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]but-2-yn-1-ol Openeye Name: 4-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]but-2-yn-1-ol CAS Name: 4-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-2-butyn-1-ol IUPAC Name: 4-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]but-2-yn-1-ol Traditional Name: 4-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]but-2-yn-1-ol Formula: C23H25FN2OS MolecularWeight: 396.520803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)CC#CCO

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)F)C(C2)N4CCN(CC4)CC#CCO

InChI

InChI=1S/C23H25FN2OS/c1-17-4-6-22-18(14-17)15-21(20-16-19(24)5-7-23(20)28-22)26-11-9-25(10-12-26)8-2-3-13-27/h4-7,14,16,21,27H,8-13,15H2,1H3