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

Systemtic Name: 1-(3-fluoranyl-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine IUPAC Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(3-fluoro-9-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C20H23FN2S MolecularWeight: 342.473423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(C3=C(S2)C=CC(=C3)F)N4CCN(CC4)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(C3=C(S2)C=CC(=C3)F)N4CCN(CC4)C)C=C1

InChI

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