1-(2-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine

Systemtic Name: 1-(2-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Openeye Name: 1-(2-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine CAS Name: 1-(2-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine IUPAC Name: 1-(2-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Traditional Name: 1-(2-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine Formula: C19H20ClFN2S MolecularWeight: 362.891903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=C(C=C(C=C3)Cl)SC4=C2C=CC(=C4)F

Isomeric SMILES

CN1CCN(CC1)C2CC3=C(C=C(C=C3)Cl)SC4=C2C=CC(=C4)F

InChI

InChI=1S/C19H20ClFN2S/c1-22-6-8-23(9-7-22)17-10-13-2-3-14(20)11-18(13)24-19-12-15(21)4-5-16(17)19/h2-5,11-12,17H,6-10H2,1H3