1-(9-fluoranyl-3-propan-2-yl-benzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: 1-(9-fluoranyl-3-propan-2-yl-benzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(9-fluoro-3-isopropyl-benzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-(9-fluoro-3-propan-2-yl-5-benzo[b][1]benzothiepinyl)-4-methylpiperazine IUPAC Name: 1-(9-fluoro-3-propan-2-ylbenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(9-fluoro-3-isopropyl-benzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C22H25FN2S MolecularWeight: 368.510703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C=C2N4CCN(CC4)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)F)C=C2N4CCN(CC4)C

InChI

InChI=1S/C22H25FN2S/c1-15(2)16-5-7-21-19(12-16)20(25-10-8-24(3)9-11-25)13-17-4-6-18(23)14-22(17)26-21/h4-7,12-15H,8-11H2,1-3H3