1-[4-(9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]ethanone IUPAC Name: 1-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(9-fluoro-3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]ethanone Formula: C23H27FN2OS MolecularWeight: 398.536683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C(=O)C)C=CC(=C3)F

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C(=O)C)C=CC(=C3)F

InChI

InChI=1S/C23H27FN2OS/c1-15(2)17-5-7-22-20(12-17)21(26-10-8-25(9-11-26)16(3)27)13-18-4-6-19(24)14-23(18)28-22/h4-7,12,14-15,21H,8-11,13H2,1-3H3