1-methyl-4-[3-methyl-9-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine

Systemtic Name: 1-methyl-4-[3-methyl-9-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Openeye Name: 1-methyl-4-[3-methyl-9-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine CAS Name: 1-methyl-4-[3-methyl-9-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine IUPAC Name: 1-methyl-4-[3-methyl-9-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Traditional Name: 1-methyl-4-[3-methyl-9-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Formula: C21H23F3N2S MolecularWeight: 392.48093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)C)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2S/c1-14-3-6-19-17(11-14)18(26-9-7-25(2)8-10-26)12-15-4-5-16(21(22,23)24)13-20(15)27-19/h3-6,11,13,18H,7-10,12H2,1-2H3