1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine

Systemtic Name: 1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Openeye Name: 1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine CAS Name: 1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Traditional Name: 1-methyl-4-[3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Formula: C20H21F3N2S MolecularWeight: 378.45435

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N2S/c1-24-8-10-25(11-9-24)17-12-14-4-2-3-5-18(14)26-19-7-6-15(13-16(17)19)20(21,22)23/h2-7,13,17H,8-12H2,1H3