1-[3-chloranyl-2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine

Systemtic Name: 1-[3-chloranyl-2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine Openeye Name: 1-[3-chloro-2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine CAS Name: 1-[3-chloro-2-(trifluoromethyl)-5-benzo[b][1]benzothiepinyl]-4-methylpiperazine IUPAC Name: 1-[3-chloro-2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]-4-methylpiperazine Traditional Name: 1-[3-chloro-2-(trifluoromethyl)benzo[b][1]benzothiepin-5-yl]-4-methyl-piperazine Formula: C20H18ClF3N2S MolecularWeight: 410.88353

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)Cl)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC(=C(C=C24)Cl)C(F)(F)F

InChI

InChI=1S/C20H18ClF3N2S/c1-25-6-8-26(9-7-25)17-10-13-4-2-3-5-18(13)27-19-12-15(20(22,23)24)16(21)11-14(17)19/h2-5,10-12H,6-9H2,1H3