1-(2-fluoranyl-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: 1-(2-fluoranyl-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(2-fluoro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-(2-fluoro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine IUPAC Name: 1-(2-fluoro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(2-fluoro-3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C20H23FN2S MolecularWeight: 342.473423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)C)F

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)C)F

InChI

InChI=1S/C20H23FN2S/c1-14-11-16-18(23-9-7-22(2)8-10-23)12-15-5-3-4-6-19(15)24-20(16)13-17(14)21/h3-6,11,13,18H,7-10,12H2,1-2H3